Drug_Name	Pilot1_Drug_ID	Broad_ID	SMILES	Target_Gene(Symbol)	Target_Gene(Entrez_ID)	MoA_Description	MoA_Category
KW-2449	CTRP.298	BRD-K21718444	O=C(N1CCNCC1)c1ccc(cc1)\C=C\c1n[nH]c2ccccc12	ABL1;AURKA;AURKB;FLT3	25;6790;9212;2322	Abl kinase inhibitor; Aurora kinase inhibitor; FLT3 inhibitor	ABL and/or SRC signaling; Mitosis; RTK signaling
NILOTINIB	CTRP.378;GDSC.1013;CCLE.2	BRD-K81528515	Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F	ABL1;KIT	25;3815	Abl kinase inhibitor; Bcr-Abl kinase inhibitor	ABL and/or SRC signaling
BOSUTINIB	CTRP.158	BRD-K90746395	COc1cc(Nc2cc(nc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl	ABL1;BCR;CAMK1D;CAMK2G;CDK2;FRK;FYN;HCK;LYN;MAP2K1;MAP2K2;MAP3K2;MAP4K5;SRC;STK10;STK24;STK4;TNK2;TXK	25;613;57118;818;1017;2444;2534;3055;4067;5604;5605;10746;11183;6714;6793;8428;6789;10188;7294	Abl kinase inhibitor; Bcr-Abl kinase inhibitor; src inhibitor	ABL and/or SRC signaling
BOSUTINIB	GDSC.1019	BRD-K99964838	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	ABL1;BCR;CAMK1D;CAMK2G;CDK2;FRK;FYN;HCK;LYN;MAP2K1;MAP2K2;MAP3K2;MAP4K5;SRC;STK10;STK24;STK4;TNK2;TXK	25;613;57118;818;1017;2444;2534;3055;4067;5604;5605;10746;11183;6714;6793;8428;6789;10188;7294	Abl kinase inhibitor; Bcr-Abl kinase inhibitor; src inhibitor	ABL and/or SRC signaling
CI-976	CTRP.174	BRD-K88544581	CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC	ACAT1;CES1	38;1066	ACAT inhibitor	Other
BRD-K03536150	CTRP.63	BRD-K03536150	CC1=NN(C(=O)C\1=N\Nc1ccccc1C(O)=O)c1nc(cs1)-c1ccccc1	BAX	581	activator of BAX	Other
ML083	CTRP.323	BRD-K44241590	COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1	PKM	5315	activator of muscle pyruvate kinase	"Other, kinases"
SCH-529074	CTRP.447	BRD-K24376488	CN(C)CCCNc1nc(CN2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccccc12	TP53	7157	activator of mutant p53	p53 pathway
ISTRADEFYLLINE	CTRP.279	BRD-K87774949	CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O	ADORA1;ADORA2A;ADORA2B;ADORA3	134;135;136;140	adenosine receptor antagonist	Other
AICA RIBONUCLEOTIDE	GDSC.1001	BRD-A67373739	C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N	ATIC;PRKAA1	471;5562	adenosine release stimulant; AMPK stimulant	Metabolism
ATRA	CTRP.19	BRD-K64634304	CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C	RARA;RARB;RARG	5914;5915;5916	agonist of retinoid acid receptors	Retinoic acid receptor and retinoid X receptor modulator
ML006	CTRP.320	BRD-K89692698	C1CN(CCO1)c1nnc(-c2ccccc2)c(n1)-c1ccccc1	S1PR3	1903	agonist of sphingosine 1-phosphate receptor 3	Sphingosine 1-phosphate receptor modulator
ELOCALCITOL	CTRP.226	BRD-A04287157	CCC(O)(CC)\C=C\CC(C)C1=CC[C@@H]2[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](F)C1=C	VDR	7421	agonist of vitamin D receptor	Metabolism
MK-2206	CTRP.319;GDSC.1053	BRD-K68065987	NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1	AKT1;AKT2;AKT3	207;208;10000	AKT inhibitor	PI3K/MTOR signaling
A-443654	GDSC.86		CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=CC=CC=C54)N	AKT1;AKT2;AKT3	207;208;10000	AKT inhibitor	PI3K/MTOR signaling
AKT INHIBITOR VIII	GDSC.171;GDSC.228			AKT1;AKT2;AKT3	207;208;10000	AKT inhibitor	PI3K/MTOR signaling
GSK690693	GDSC.326	BRD-K25325018	CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N	AKT1;AKT2;AKT3;PAK4;PAK6;PAK5;PRKCQ;PRKG1;PRKX	207;208;10000;10298;56924;57144;5588;5592;5613	AKT inhibitor	PI3K/MTOR signaling
AT7867	CTRP.18	BRD-K12040459	Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1	AKT2;GSK3B;PKIA;PRKACA	208;2932;5569;5566	AKT inhibitor	PI3K/MTOR signaling
TAE684	CTRP.492;GDSC.35;CCLE.22	BRD-K50140147	COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1	ALK;INSR	238;3643	ALK tyrosine kinase receptor inhibitor	RTK signaling
CRIZOTINIB	CTRP.201;GDSC.37;CCLE.8;gCSI.3	BRD-K78431006	C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl	ALK;MET	238;4233	ALK tyrosine kinase receptor inhibitor	RTK signaling
ALECTINIB	GDSC.281	BRD-K11267252		ALK;MET	238;4233	ALK tyrosine kinase receptor inhibitor	RTK signaling
SB505124	GDSC.1194	BRD-K40109029		TGFBR1	7046	ALK tyrosine kinase receptor inhibitor	RTK signaling
PHENFORMIN	GDSC.196	BRD-K11399644	NC(=N)NC(=N)NCCc1ccccc1	KCNJ8;PRKAA1	3764;5562	AMPK activator	Other
COMPOUND 23 CITRATE	CTRP.199	BRD-K67112618	CN(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC=C(c5ccc6cnccc6c5)[C@@]4(C)CC[C@H]23)C1			analog of natural product cortistatin	Other
COL-3	CTRP.181	BRD-A59431241	NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O			analog of tetracycline	Other
BRD-K26531177	CTRP.79	BRD-K26531177	COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC			analog of the natural product piperlongumine	Other
BRD-K34222889	CTRP.92	BRD-K34222889	COc1ccc(cc1)C#CC1=CCCN(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)C1=O			analog of the natural product piperlongumine	Other
ABIRATERONE	CTRP.30	BRD-K50071428	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1	CYP11B1;CYP17A1	1584;1586	androgen biosynthesis inhibitor	Hormone-related
BICALUTAMIDE	GDSC.150;GDSC.1502	BRD-A29485665	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	AR	367	androgen receptor antagonist	Hormone-related
KIN001-236	GDSC.286			TEK	7010	Angiopoietin-1 receptor	Other
BMS-270394	CTRP.49	BRD-K04905989	CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O	RARG	5916	antagonist of retinoic acid receptor gamma	Retinoic acid receptor and retinoid X receptor modulator
BMS-195614	CTRP.48	BRD-K45935533	CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O	RARA;RARB;RARG	5914;5915;5916	antagonist of retinoic acid receptors	Retinoic acid receptor and retinoid X receptor modulator
GSK4112	CTRP.253	BRD-K78667050	CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1	NR1D1	9572	antagonist of Rev-ErbAalpha	Other
SR8278	CTRP.460	BRD-A02904414	CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(SC)s1	NR1D1	9572	antagonist of Rev-ErbAalpha	Other
LENALIDOMIDE	GDSC.1020	BRD-A17883755	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	CDH5;CRBN;PTGS2;TNF;TNFSF11	1003;51185;5743;7124;8600	anticancer agent	Protein stability and degradation
BRD-K97651142	CTRP.132	BRD-K97651142	CN(CCc1cc(Br)c(OCCCNc2ncnc3n(C)cnc23)c(Br)c1)C(=O)c1ccc(C)cc1			aphrocallistin derivative	Other
YK 4-279	CTRP.540;GDSC.1239	BRD-A62182663	COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl	EWSR1;FLI1	2130;2313	apoptosis inhibitor	Apoptosis regulation
NSC19630	CTRP.352	BRD-K39706510	CCC(=O)OCN1C(=O)C=CC1=O			apoptosis stimulant	Apoptosis regulation
DARINAPARSIN	CTRP.212	BRD-K35723520	C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O			apoptosis stimulant; NADPH oxidase stimulant	Inducer of ROS; Apoptosis regulation
BETULINIC-ACID	CTRP.152	BRD-K45401373	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O	GPBAR1	151306	apoptosis stimulant; NFkB pathway inhibitor	Apoptosis regulation; Modulator of NF-kappa-B signaling
QS11	CTRP.430	BRD-K02526760	OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3CCCc3c2)nc2n(Cc3ccc(cc3)-c3ccccc3)cnc12	ARFGAP1	55738	ARFGAP inhibitor	Other
QS11	GDSC.151	BRD-K02526760	C1CC2=C(C1)C=C(C=C2)OC3=NC4=C(C(=N3)NC(CC5=CC=CC=C5)CO)N=CN4CC6=CC=C(C=C6)C7=CC=CC=C7	ARFGAP1	55738	ARFGAP inhibitor	Other
STEMREGENIN 1	CTRP.490	BRD-K36739687	CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)-c1csc2ccccc12	AHR	196	aryl hydrocarbon receptor antagonist	Other
KU-60019	CTRP.297	BRD-K36016295	C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1	ATM	472	ATM kinase inhibitor	Cell cycle; Genome integrity
CP466722	GDSC.152	BRD-K15592317	COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC	ATM	472	ATM kinase inhibitor	Cell cycle; Genome integrity
KU-55933	CTRP.296;GDSC.1030	BRD-K25311561	O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1	ATM;PRKDC	472;5591	ATM kinase inhibitor	Cell cycle; Genome integrity
OLIGOMYCIN A	CTRP.386	BRD-A81541225	CCC1CCC2OC3(CC[C@@H](C)C(C[C@H](C)O)O3)[C@H](C)C(OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C	ATP5F1A	498	ATP synthase inhibitor; ATPase inhibitor	ATPase inhibitor
OUABAIN	CTRP.388	BRD-K35708212	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O	ATP1A1	476	ATPase inhibitor	ATPase inhibitor
DBEQ	CTRP.209	BRD-K59204667	C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1	CASP3	836	ATPase inhibitor	ATPase inhibitor
BLEBBISTATIN	CTRP.155	BRD-A75817871	Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1	MYH2	4620	ATPase inhibitor	ATPase inhibitor
THAPSIGARGIN	GDSC.180;gCSI.15	BRD-K69023402;BRD-A62809825	CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=CC)/C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C	ATP2A1	487	ATPase inhibitor; calcium channel blocker; PKC activator	ATPase inhibitor
ISOEVODIAMINE	CTRP.276	BRD-A68631409	CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12	TRPV1	7442	ATPase inhibitor; TRPV agonist	ATPase inhibitor
ETP-46464	CTRP.224	BRD-K24556407	CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1			ATR kinase inhibitor	Cell cycle; Genome integrity
ALISERTIB	CTRP.31	BRD-K75295174	COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O	AURKA	6790	Aurora kinase inhibitor	Mitosis
GENENTECH CPD 10	GDSC.225			AURKA;AURKB	6790;9212	Aurora kinase inhibitor	Mitosis
ZM447439	GDSC.1050	BRD-K72703948	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5	AURKA;AURKB	6790;9212	Aurora kinase inhibitor	Mitosis
GSK1070916	GDSC.226	BRD-K36740062	CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC(=CC=C5)CN(C)C	AURKA;AURKB;AURKC;CYP2D6;CYP3A4	6790;9212;6795;1565;1576	Aurora kinase inhibitor	Mitosis
BARASERTIB	CTRP.147	BRD-K63923597	CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1	AURKB	9212	Aurora kinase inhibitor	Mitosis
VX-680	CTRP.527;GDSC.32	BRD-K59369769	CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1	AURKA;AURKB;AURKC;LCK	6790;9212;6795;3932	Aurora kinase inhibitor; Bcr-Abl kinase inhibitor; FLT3 inhibitor; JAK inhibitor	Mitosis
STF-62247	GDSC.258	BRD-K85479953	Cc1cccc(Nc2nc(cs2)c3ccncc3)c1			autophagy inducer	Other
R428	CTRP.433	BRD-K14870255	Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1	AXL	558	AXL kinase inhibitor	"Other, kinases"
TIGECYCLINE	CTRP.509	BRD-A34462049	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C			bacterial 30S ribosomal subunit inhibitor	Other
EPIGALLOCATECHIN-3-MONOGALLATE	CTRP.227	BRD-K55591206	Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1	ELANE;EP300;FASN;KAT2B;MMP14;MMP2	1991;2033;2194;8850;4323;4313	bacterial DNA gyrase inhibitor	Other
BRD-K07442505	CTRP.66	BRD-K07442505	CCOc1ccccc1N\N=C1C(=O)N(N=C\1C)c1nc(cs1)-c1ccccc1	BAX	581	BAX activator	Other
ABT-199	CTRP.9	BRD-K62391742	CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1	BCL2	596	BCL inhibitor	Apoptosis regulation
OBATOCLAX-MESYLATE	CTRP.385	BRD-K15600710	COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1	BCL2	596	BCL inhibitor	Apoptosis regulation
OBATOCLAX MESYLATE	GDSC.182	BRD-K15600710		BCL2	596	BCL inhibitor	Apoptosis regulation
ABT-263	CTRP.10;GDSC.1011	BRD-K82746043	CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1	BCL2;BCL2L1;BCL2L2	596;598;599	BCL inhibitor	Apoptosis regulation
ABT-737	CTRP.11	BRD-K56301217	CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1	BCL2;BCL2L1;BCL2L2	596;598;599	BCL inhibitor	Apoptosis regulation
TW-37	CTRP.497;GDSC.1149	BRD-K28360340	CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O	BCL2;BCL2L1;MCL1	596;598;4170	BCL inhibitor	Apoptosis regulation
GOSSYPOL	CTRP.260	BRD-K19295594	CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O	BCL2	596	BCL inhibitor; MCL1 inhibitor	Apoptosis regulation
GNF-2	GDSC.52	BRD-K97056771	C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F	ABL1;BCR	25;613	Bcr-Abl kinase inhibitor	ABL and/or SRC signaling
DASATINIB	CTRP.213;GDSC.51	BRD-K49328571	Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1	ABL1;ABL2;BLK;EPHA2;FGR;FRK;FYN;HCK;KIT;LCK;LYN;PDGFRB;SRC;SRMS;STAT5B;YES1	25;27;640;1969;2268;2444;2534;3055;3815;3932;4067;5159;6714;6725;6777;7525	Bcr-Abl kinase inhibitor; ephrin inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; src inhibitor; tyrosine kinase inhibitor	ABL and/or SRC signaling
PONATINIB	GDSC.155	BRD-K44227013	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	ABL1;BCR;FGFR1;FGFR2;FGFR3;FGFR4;FLT3;KDR;KIT;LCK;LYN;PDGFRA;RET;SRC;TEK	25;613;2260;2263;2261;2264;2322;3791;3815;3932;4067;5156;5979;6714;7010	Bcr-Abl kinase inhibitor; FLT3 inhibitor; PDGFR tyrosine kinase receptor inhibitor	RTK signaling; ABL and/or SRC signaling
IMATINIB	CTRP.273;GDSC.34	BRD-K92723993	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1	ABL1;CSF1R;DDR1;KIT;NTRK1;PDGFRA;PDGFRB;RET	25;1436;780;3815;4914;5156;5159;5979	Bcr-Abl kinase inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor	ABL and/or SRC signaling
KO-143	CTRP.301	BRD-K64642496	COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O	ABCB1;ABCC1	5243;4363	BCRP inhibitor	Other
MI-1	CTRP.315	BRD-K64497429	CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12	MEN1	4221	binder of menin; inhibitor of menin-MLL fusion protein	Other
MI-2	CTRP.316	BRD-K90860366	CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1	MEN1	4221	binder of menin; inhibitor of menin-MLL fusion protein	Other
3-CL-AHPC	CTRP.4	BRD-A09890259	OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2	NR0B2	8431	binder of nuclear receptor SHP	Apoptosis regulation
WZ-1-84	GDSC.59			BMX	660	BMX inhibitor	Inhibitor of BMX and/or BTK
QL-XII-61	GDSC.1203		CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C	BMX;BTK	660;695	BMX inhibitor; Bruton's tyrosine kinase (BTK) inhibitor	Inhibitor of BMX and/or BTK
QL-XII-47	GDSC.235	BRD-U86922168	CN1C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC6=C(CCN6C(=O)C=C)C=C5	BMX;BTK	660;695	BMX inhibitor; Bruton's tyrosine kinase (BTK) inhibitor; cytoplasmic tyrosine protein kinase BMX inhibitor	Inhibitor of BMX and/or BTK
I-BET151	CTRP.265	BRD-K36363294	COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C	BRD2;BRD3;BRD4	6046;8019;23476	bromodomain inhibitor	Chromatin other
GSK525762A	CTRP.255;GDSC.275	BRD-K08109215	CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12	BRD2;BRD3;BRD4	6046;8019;23476	bromodomain inhibitor	Chromatin other
PFI-1	GDSC.1219	BRD-K13094524		BRD4	23476	bromodomain inhibitor	Chromatin other
JQ-1	CTRP.282;GDSC.163;GDSC.1218	BRD-K54606188	Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1	BRD4;BRDT	23476;676	bromodomain inhibitor	Chromatin other
IBRUTINIB	CTRP.271	BRD-K70301465	Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C	BLK;BMX;BTK	640;660;695	Bruton's tyrosine kinase (BTK) inhibitor	Inhibitor of BMX and/or BTK
LFM-A13	GDSC.192	BRD-A30655177	CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O	BTK	695	Bruton's tyrosine kinase (BTK) inhibitor	Inhibitor of BMX and/or BTK
PHA-665752	GDSC.6;CCLE.4	BRD-K95435023	CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O	MET	4233	c-Met inhibitor	RTK signaling
TACROLIMUS	CTRP.499	BRD-K69608737	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC	FKBP1A	2280	calcineurin inhibitor	Other
CICLOSPORIN	CTRP.194	BRD-A38030642	CCC1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	PPIA;ABCB11;CAMLG;CYP3A5;CYP3A7;FPR1;PPID;PPIF;PPP3CA;PPP3R2;SLC10A1;SLCO1B1;SLCO1B3	5478;8647;819;1577;1551;2357;5481;10105;5530;5535;6554;10599;28234	calcineurin inhibitor; cyclophilin inhibitor; immunosuppressant; insulin expression inhibitor; T cell inhibitor	Other
GW-405833	CTRP.256	BRD-K10705233	COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1	CNR2	1269	cannabinoid receptor agonist	ERK MAPK signaling
ETOMOXIR	CTRP.232	BRD-K81335284	OC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1	CPT1A	1374	carnitine palmitoyltransferase inhibitor	Other
PF-4800567 HYDROCHLORIDE	CTRP.395	BRD-K43428468	Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1	CSNK1D;CSNK1E	1453;1454	casein kinase inhibitor	"Other, kinases"
SILMITASERTIB	CTRP.481	BRD-K81458380	OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21	CSNK2A1;CSNK2A2;DAPK3;HIPK3	1457;1459;1613;10114	casein kinase inhibitor	"Other, kinases"
COMPOUND 1541A	CTRP.197	BRD-K30064966	Oc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12	CASP3	836	caspase activator	Apoptosis regulation
PAC-1	CTRP.409	BRD-K92991072	Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1	CASP3	836	caspase activator	Apoptosis regulation
PAC-1	GDSC.175	BRD-K92991072	Oc1c(CC=C)cccc1C=NNC(=O)CN2CCN(Cc3ccccc3)CC2	CASP3	836	caspase activator	Apoptosis regulation
BRD-K64610608	CTRP.113	BRD-K64610608	COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C(=O)N(C[C@H]1C)[C@@H](C)CO	CASP3	836	caspase inhibitor	Apoptosis regulation
SID 26681509	CTRP.450	BRD-K08417745	CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C	CTSL	1514	cathepsin inhibitor	Protein stability and degradation
SB-225002	CTRP.443	BRD-K61323504	Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O	CXCR2	3579	CC chemokine receptor antagonist	Other
NSC95397	CTRP.357	BRD-K68143200	OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O	CDC25A;CDC25B	993;994	CDC inhibitor	Cell cycle
KH-CB19	CTRP.291	BRD-K66430217	CCOC(=O)c1c(C(=CN)C#N)c2ccc(Cl)c(Cl)c2n1C	CLK1;CLK3;DYRK1A	1195;1198;1859	CDC inhibitor	Cell cycle
INDISULAM	CTRP.275	BRD-K17610631	NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12	CA1;CA12;CA14;CA2;CA6;CA7;CA9	759;771;23632;760;765;766;768	CDK inhibitor	Cell cycle
RO-3306	GDSC.1052	BRD-K78373679	C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1	CDK1	983	CDK inhibitor	Cell cycle
CGP-60474	GDSC.53	BRD-K79090631	C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO	CDK1;CDK2	983;1017	CDK inhibitor	Cell cycle
ALVOCIDIB	CTRP.33	BRD-K68682020	CN1CC[C@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl	CDK1;CDK2;CDK4;CDK5;CDK6;CDK7;CDK8;CDK9;EGFR;PYGM	983;1017;1019;1020;1021;1022;1024;1025;1956;5837	CDK inhibitor	Cell cycle
AT-7519	GDSC.219	BRD-K13390322	Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1	CDK1;CDK2;CDK4;CDK5;CDK6;CDK9	983;1017;1019;1020;1021;1025	CDK inhibitor	Cell cycle
PHA-793887	CTRP.399;GDSC.301	BRD-K64800655	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	CDK1;CDK2;CDK4;CDK5;CDK7;CDK9	983;1017;1019;1020;1022;1025	CDK inhibitor	Cell cycle
DINACICLIB	CTRP.218	BRD-K13662825	CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO	CDK1;CDK2;CDK5;CDK9	983;1017;1020;1025	CDK inhibitor	Cell cycle
N9-ISOPROPYLOLOMOUCINE	CTRP.349	BRD-K71726959	CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12	CDK1;CDK5	983;1020	CDK inhibitor	Cell cycle
SELICICLIB	GDSC.110	BRD-K07691486	CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C	CDK2;CDK9	1017;1025	CDK inhibitor	Cell cycle
CGP-082996	GDSC.54		CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5	CDK4	1019	CDK inhibitor	Cell cycle
PALBOCICLIB	GDSC.1054;CCLE.17	BRD-K51313569	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	CDK4;CDK6	1019;1021	CDK inhibitor	Cell cycle
THZ-2-102-1	GDSC.346			CDK7	1022	CDK inhibitor	Cell cycle
THZ-2-49	GDSC.344			CDK9	1025	CDK inhibitor	Cell cycle
KIN001-270	GDSC.345			CDK9	1025	CDK inhibitor	Cell cycle
SNS-032	CTRP.455	BRD-K43389698	CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1	CDK2;CDK7;CDK9	1017;1022;1025	CDK inhibitor; cell cycle inhibitor; MCL1 inhibitor	Cell cycle
RIGOSERTIB	CTRP.441	BRD-K55187425	COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1	PLK1	5347	cell cycle inhibitor; PLK inhibitor	Cell cycle; PI3K/MTOR signaling
NVP-231	CTRP.358	BRD-A12571627	O=C(Nc1nc2ccc(NC(=O)C34C[C@H]5C[C@H](C[C@H](C5)C3)C4)cc2s1)c1ccccc1	CERK	64781	ceramidase inhibitor	"Other, kinases"
PDMP	CTRP.392	BRD-K05653692	CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1	ASAH1;UGCG	427;7357	ceramide glucosyltransferase inhibitor; glucosyltransferase inhibitor	Metabolism; Cell cycle
GW-2580	GDSC.193	BRD-K24242599		CSF1R	1436	cFMS kinase inhibitor	RTK signaling
AZD7762	CTRP.28;GDSC.1022	BRD-K86525559	NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1	CHEK1;CHEK2	1111;11200	CHK inhibitor	Cell cycle
NARCICLASINE	CTRP.363	BRD-K06792661	O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O	RHOA	387	coflilin signaling pathway activator; LIM kinase activator; ROCK activator	Cell cycle; Mitosis
VALDECOXIB	CTRP.528	BRD-K12994359	Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1	CA12;PTGS2	771;5743	cyclooxygenase inhibitor	Other
HYPERFORIN	CTRP.264	BRD-A30032852	CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)C(=O)C(CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O	NR1I2;ALOX5;PTGS1;TRPC6	8856;240;5742;7225	cyclooxygenase inhibitor; dopamine reuptake inhibitor; interleukin receptor antagonist; lipoxygenase inhibitor; serotonin uptake inhibitor	Other
CURCUMIN	CTRP.204	BRD-K74148702	COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O	APP;CA1;CA12;CA14;CA2;CA4;CA6;CA9;CYP3A4;DNMT3B;EP300;MMP13;MMP9;NOS2;PTGS1;PTGS2;XDH	351;759;771;23632;760;762;765;768;1576;1789;2033;4322;4318;4843;5742;5743;7498	cyclooxygenase inhibitor; histone acetyltransferase inhibitor; lipoxygenase inhibitor; NFkB pathway inhibitor	Inducer of ROS; Modulator of NF-kappa-B signaling
BAX-CHANNEL-BLOCKER	CTRP.149	BRD-A18763547	OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12	BAX	581	cytochrome C release inhibitor	Other
ITRACONAZOLE	CTRP.280	BRD-A34817987	CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O	CYP51A1	1595	cytochrome P450 inhibitor	Hedgehog signaling
AA-COCF3	CTRP.8	BRD-K07303502	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F	PLA2G4A	5321	cytosolic phospholipase inhibitor	Metabolism
QL-XI-92	GDSC.329	BRD-U73238814	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)NC(=O)C=C)NC(=O)C3=CC=NO3	DDR1	780	DDR1 inhibitor	Other
WP1130	CTRP.536	BRD-K43644456	CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1	JAK2;UCHL5;USP14;USP9X	3717;51377;9097;8239	deubiquitinase inhibitor	Protein stability and degradation
SPAUTIN-1	CTRP.488	BRD-K84964099	Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1	USP10;USP13	9100;8975	deubiquitinase inhibitor	Protein stability and degradation
METHOTREXATE	CTRP.343;GDSC.1008	BRD-K59456551	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O	DHFR	1719	dihydrofolate reductase inhibitor	DNA replication
PYRIMETHAMINE	GDSC.71	BRD-K88429204	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	DHFR;SLC47A1	1719;55244	dihydrofolate reductase inhibitor	DNA replication
PL-DI	CTRP.402	BRD-K83336168	COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OCCN(C)CCOc1c(OC)cc(\C=C\C(=O)N2CCC=CC2=O)cc1OC			dimer of piperlongumine; inducer of ROS	Inducer of ROS
SITAGLIPTIN	CTRP.484	BRD-K19416115	N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F	DPP4	1803	dipeptidyl peptidase inhibitor	Metabolism
CYCLOPHOSPHAMIDE	CTRP.206	BRD-A09722536	ClCCN(CCCl)P1(=O)NCCCO1	CYP2A6;CYP2B6;CYP2C18;CYP2C19;CYP2C8;CYP2C9;CYP2D6;CYP3A4;CYP3A5;CYP3A7	1548;1555;1562;1557;1558;1559;1565;1576;1577;1551	DNA alkylating agent	DNA replication
IFOSFAMIDE	CTRP.272	BRD-A67097164	ClCCNP1(=O)OCCCN1CCCl	CYP2A6;CYP2B6;CYP2C18;CYP2C19;CYP2C8;CYP2C9;CYP3A4;CYP3A5;CYP3A7;PTGS1	1548;1555;1562;1557;1558;1559;1576;1577;1551;5742	DNA alkylating agent	DNA replication
TEMOZOLOMIDE	CTRP.505;GDSC.1375	BRD-A94153989	CN1N=Nc2c(ncn2C1=O)C(=O)N	MGMT	4255	DNA alkylating agent	DNA replication
DACARBAZINE	CTRP.211	BRD-K35520305	CN(C)\N=N\c1[nH]cnc1C(N)=O	PGD;POLA2	5226;23649	DNA alkylating agent	DNA replication
CARBOPLATIN	CTRP.185	BRD-K11626735	O=C1O[Pt]OC(=O)C11CCC1			DNA alkylating agent; DNA inhibitor	DNA replication
PLATIN	CTRP.423;GDSC.1005	BRD-K69172251	N[Pt](N)(Cl)Cl	XIAP	331	DNA alkylating agent; DNA synthesis inhibitor	DNA replication
MITOMYCIN-C	CTRP.345;GDSC.136	BRD-K59670716	CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O			DNA alkylating agent; DNA synthesis inhibitor	DNA replication
NU7441	GDSC.1038	BRD-K00337317	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56	PRKDC	5591	DNA dependent protein kinase inhibitor	Genome integrity
KU 0060648	CTRP.294	BRD-K09499853	CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1	PIK3CA;PIK3CB;PIK3CD;PIK3CG;PRKDC	5290;5291;5293;5294;5591	DNA dependent protein kinase inhibitor; PI3K inhibitor	Genome integrity
CHLORAMBUCIL	CTRP.192	BRD-K29458283	OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl			DNA inhibitor	DNA replication
BENDAMUSTINE	CTRP.151	BRD-K17068645	Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl			DNA inhibitor	DNA replication
OXALIPLATIN	CTRP.389	BRD-M14820059	O=C1O[Pt]2(NC3CCCCC3N2)OC1=O			DNA inhibitor	DNA replication
ZEBULARINE	CTRP.544	BRD-A01145011	OC[C@H]1O[C@H](C(O)[C@H]1O)n1cccnc1=O	CDA;DNMT1	978;1786	DNA methyltransferase inhibitor	Chromatin histone methylation
TdCyd				DNMT1	1786	DNA methyltransferase inhibitor	Chromatin histone methylation
AZACITIDINE	CTRP.39	BRD-K03406345	Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1	DNMT1;DNMT3A	1786;1788	DNA methyltransferase inhibitor	Chromatin histone methylation
DECITABINE	CTRP.214	BRD-K79254416	Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	DNMT1;DNMT3A	1786;1788	DNA methyltransferase inhibitor	Chromatin histone methylation
RG-108	CTRP.435	BRD-K89391146	OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O	DNMT1;DNMT3B	1786;1789	DNA methyltransferase inhibitor	Chromatin histone methylation
NICLOSAMIDE	CTRP.377	BRD-K35960502	Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O	STAT3	6774	DNA replication inhibitor; STAT inhibitor	Apoptosis regulation; Cell cycle
BLEOMYCIN	CTRP.156	BRD-A42083487	C[C@@H](O)[C@@H](NC(=O)[C@H](C)[C@@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@@H](N)C(N)=O)C(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCC[S+](C)C	LIG1;LIG3	3978;3980	DNA synthesis inhibitor	DNA replication
BLEOMYCIN	GDSC.190;GDSC.1378	BRD-A42083487;BRD-A12918100	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]	LIG1;LIG3	3978;3980	DNA synthesis inhibitor	DNA replication
NELARABINE	CTRP.374	BRD-K84466663	COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	POLA1	5422	DNA synthesis inhibitor; T cell inhibitor	DNA replication
TRIFLUOPERAZINE	CTRP.518	BRD-K89732114	CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1	ADRA1A;CALM1;CALY;DRD2;DRD4;HRH1;HTR2A;HTR2C;S100A4;TNNC1	148;801;50632;1813;1815;3269;3356;3358;6275;7134	dopamine receptor antagonist	Other
PROCHLORPERAZINE	CTRP.427	BRD-K19352500	CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1	DRD1;DRD2;DRD3;DRD4	1812;1813;1814;1815	dopamine receptor antagonist	Other
MDIVI-1	CTRP.341	BRD-K61128465	COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2ccccc2c1=O	DNM1	1759	dynamin inhibitor	Other
CUDC-101	GDSC.273	BRD-K41278234		EGFR;ERBB2	1956;2064	EGFR inhibitor	Chromatin histone acetylation; EGFR signaling
CANERTINIB	CTRP.184	BRD-K50168500	Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl	AKT1;EGFR;ERBB2;ERBB4	207;1956;2064;2066	EGFR inhibitor	EGFR signaling
CETUXIMAB	GDSC.1114			EGFR	1956	EGFR inhibitor	EGFR signaling
WZ8040	CTRP.538	BRD-K81728688	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3cccc(NC(=O)C=C)c3)n2)cc1	EGFR	1956	EGFR inhibitor	EGFR signaling
PELITINIB	GDSC.282	BRD-K08799216		EGFR	1956	EGFR inhibitor	EGFR signaling
WZ4002	CTRP.537	BRD-K72420232	COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1	EGFR;ERBB2	1956;2064	EGFR inhibitor	EGFR signaling
LAPATINIB	CTRP.307;GDSC.119;CCLE.5;gCSI.10	BRD-K19687926	CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	EGFR;ERBB2	1956;2064	EGFR inhibitor	EGFR signaling
BIBW2992	CTRP.45	BRD-K66175015	CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1	EGFR;ERBB2;ERBB4	1956;2064;2066	EGFR inhibitor	EGFR signaling
AFATINIB	GDSC.1032;GDSC.1377	BRD-K66175015	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4	EGFR;ERBB2;ERBB4	1956;2064;2066	EGFR inhibitor	EGFR signaling
NERATINIB	CTRP.376	BRD-K85606544	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C	EGFR;ERBB2;KDR	1956;2064;3791	EGFR inhibitor	EGFR signaling
PD 153035	CTRP.390	BRD-K26603252	COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC	EGFR;KDR	1956;3791	EGFR inhibitor	EGFR signaling
ERLOTINIB	CTRP.230;GDSC.1;CCLE.24;gCSI.6	BRD-K70401845	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	EGFR;NR1I2	1956;8856	EGFR inhibitor	EGFR signaling
GEFITINIB	CTRP.258;GDSC.1010	BRD-K64052750	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1	EGFR	1956	EGFR inhibitor	EGFR signaling; PI3K/MTOR signaling
WHI-P97	GDSC.288	BRD-K68407802	COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC	EGFR;JAK3	1956;3718	EGFR inhibitor; JAK inhibitor; leukotriene synthesis inhibitor; mediator release inhibitor	Apoptosis regulation; Cell cycle; EGFR signaling
CP724714	GDSC.255	BRD-K76908866	COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1	ERBB2	2064	EGFR inhibitor; protein tyrosine kinase inhibitor	EGFR signaling
VANDETANIB	CTRP.529;CCLE.10	BRD-K77625799	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1	EGFR;EPHA1;EPHA10;EPHA2;EPHA3;EPHA4;EPHA5;EPHA6;EPHA7;EPHA8;EPHB1;EPHB2;EPHB3;EPHB4;EPHB6;ERBB2;ERBB3;ERBB4;FLT1;FLT4;KDR;PTK6;RET;SRC;TEK;VEGFA	1956;2041;284656;1969;2042;2043;2044;285220;2045;2046;2047;2048;2049;2050;2051;2064;2065;2066;2321;2324;3791;5753;5979;6714;7010;7422	EGFR inhibitor; RET tyrosine kinase inhibitor; VEGFR inhibitor	RTK signaling; EGFR signaling
ZIBOTENTAN	GDSC.266	BRD-K31553034	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1	EDNRA	1909	endothelin receptor antagonist	Other
NVP-BHG712	GDSC.295	BRD-K79259477		EPHB4	2050	ephrin inhibitor	Other
FULVESTRANT	CTRP.242	BRD-A85667082	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31	ESR1;ESR2;GPER1	2099;2100;2852	estrogen receptor antagonist	Hormone-related
ML050	CTRP.322	BRD-A83255679	Brc1cc2OCOc2cc1C1Nc2ccccc2C2C=CCC12	GPER1	2852	estrogen receptor antagonist	Hormone-related
TAMOXIFEN	CTRP.501;GDSC.1199	BRD-K93754473	CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1	EBP;ESR1;ESR2;GPER1;PRKCA;PRKCB;PRKCD;PRKCE;PRKCG;PRKCI;PRKCQ;PRKCZ	10682;2099;2100;2852;5578;5579;5580;5581;5582;5584;5588;5590	estrogen receptor antagonist; selective estrogen receptor modulator (SERM)	Hormone-related
SALUBRINAL	GDSC.111	BRD-A45107007	C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3	EIF2S1	1965	eukaryotic translation initiation factor inhibitor	Other
COMPOUND 7D-CIS	CTRP.200	BRD-K61829047	CCOC(=O)\C=C/n1nnc(n1)-c1cccc(Cl)c1	XPO1	7514	exportin antagonist	Cell cycle
KPT185	CTRP.293	BRD-K71467466	COc1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)OC(C)C)n1	XPO1	7514	exportin antagonist	Cell cycle
PF-750	CTRP.398	BRD-K83213911	O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1	FAAH	2166	FAAH inhibitor	Metabolism
LY-2183240	CTRP.306	BRD-K37865504	CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1	FAAH	2166	FAAH inhibitor; FAAH reuptake inhibitor	Metabolism
FTI-277	GDSC.166		COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2	FNTA	2339	Farnesyl-transferase (FNTA)	Farnesyltransferase inhibitor
TIPIFARNIB-P2		BRD-K62965247	Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1	FNTA;FNTB	2339;2342	farnesyltransferase inhibitor	Farnesyltransferase inhibitor
TIPIFARNIB	CTRP.510;GDSC.204	BRD-K63195589	Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1	FNTA;FNTB	2339;2342	farnesyltransferase inhibitor	Farnesyltransferase inhibitor
MANUMYCIN A	CTRP.338	BRD-K78599730	CCCC[C@@H](C)\C=C(C)\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2C1=O	FNTA;IKBKB	2339;3551	farnesyltransferase inhibitor; NFkB pathway inhibitor; ras farnesyltransferase inhibitor	Farnesyltransferase inhibitor; Modulator of NF-kappa-B signaling
CERULENIN	CTRP.190	BRD-K52075040	C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O	FASN	2194	fatty acid synthase inhibitor	Metabolism
AZD4547	CTRP.25	BRD-K28392481	COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1	FGFR1;FGFR2;FGFR3;FGFR4;IGF1R;KDR	2260;2263;2261;2264;3480;3791	FGFR inhibitor	RTK signaling
REGORAFENIB	CTRP.439	BRD-K16730910	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1	ABL1;BRAF;DDR2;EPHA2;FGFR1;FGFR2;FLT1;FLT4;FRK;KDR;KIT;MAPK11;NTRK1;PDGFRA;PDGFRB;RAF1;RET;TEK	25;673;4921;1969;2260;2263;2321;2324;2444;3791;3815;5600;4914;5156;5159;5894;5979;7010	FGFR inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; RAF inhibitor; RET tyrosine kinase inhibitor; VEGFR inhibitor	RTK signaling
LENVATINIB	CTRP.308	BRD-K39974922	COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O	FLT4;KDR	2324;3791	FGFR inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
NINTEDANIB	CTRP.379	BRD-K49075727	COC(=O)c1ccc2c(NC(=O)\C2=C(/Nc2ccc(cc2)N(C)C(=O)CN2CCN(C)CC2)c2ccccc2)c1	FGFR1;FGFR2;FGFR3;FGFR4;FLT1;FLT4;KDR;PDGFRA;PDGFRB	2260;2263;2261;2264;2321;2324;3791;5156;5159	FGFR inhibitor; PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
BRIVANIB	CTRP.160	BRD-K28428262	C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C	CYP3A4;FGFR1;FLT1;KCNH2;KDR	1576;2260;2321;3757;3791	FGFR inhibitor; VEGFR inhibitor	RTK signaling
PD173074	GDSC.1049	BRD-K97764662	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	FGFR1;FGFR2;FGFR3;FGFR4;FLT1;FLT4;KDR;PDGFRA;PDGFRB	2260;2263;2261;2264;2321;2324;3791;5156;5159	FGFR inhibitor; VEGFR inhibitor	RTK signaling
QUIZARTINIB	CTRP.432;GDSC.254	BRD-K93918653	CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1	CSF1R;FLT3;KIT;PDGFRA;PDGFRB;RET	1436;2322;3815;5156;5159;5979	FLT3 inhibitor	RTK signaling
LESTAURTINIB	GDSC.1024	BRD-A27376179		FLT3;NTRK1	2322;4914	FLT3 inhibitor; growth factor receptor inhibitor; JAK inhibitor	Cell cycle; RTK signaling
TG-101348	CTRP.494;GDSC.306	BRD-K12502280	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C	BRD4;JAK1;JAK2;JAK3;TYK2	23476;3716;3717;3718;7297	FLT3 inhibitor; JAK inhibitor	Apoptosis regulation; Cell cycle; RTK signaling
TANDUTINIB	CTRP.502	BRD-K89162000	COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1	CSF1R;FLT3;KIT;PDGFD;PDGFRB	1436;2322;3815;80310;5159	FLT3 inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor	RTK signaling
AMUVATINIB	GDSC.293	BRD-K66538826		KIT;MET	3815;4233	FLT3 inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; RAD51 inhibitor; RET tyrosine kinase inhibitor	RTK signaling
SORAFENIB	CTRP.486;GDSC.30;CCLE.12	BRD-K23984367	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1	BRAF;DDR2;FGFR1;FLT1;FLT3;FLT4;KDR;KIT;PDGFRB;RAF1;RET	673;4921;2260;2321;2322;2324;3791;3815;5159;5894;5979	FLT3 inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; RAF inhibitor; RET tyrosine kinase inhibitor; VEGFR inhibitor	RTK signaling
SUNITINIB	CTRP.491;GDSC.5	BRD-K42828737	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C	CSF1R;FGFR1;FLT1;FLT3;FLT4;KDR;KIT;PDGFRA;PDGFRB;RET	1436;2260;2321;2322;2324;3791;3815;5156;5159;5979	FLT3 inhibitor; KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; RET tyrosine kinase inhibitor; VEGFR inhibitor	RTK signaling
MIDOSTAURIN	GDSC.153	BRD-K13646352	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	FLT3;PRKCG	2322;5582	FLT3 inhibitor; KIT inhibitor; PKC inhibitor	RTK signaling
PF-573228	CTRP.397	BRD-K79239947	CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1	PTK2	5747	focal adhesion kinase inhibitor	Cytoskeleton
PF-562271	GDSC.158	BRD-K99545815	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C	PTK2;PTK2B	5747;2185	focal adhesion kinase inhibitor	Cytoskeleton
WAY-362450	CTRP.535	BRD-K54640016	CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1	NR1H4	9971	FXR agonist	Other
SEMAGACESTAT	CTRP.478	BRD-K65592642	CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O	PSEN1	5663	gamma secretase inhibitor	Gamma-secretase
RO4929097	CTRP.437	BRD-K22024824	CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O	PSEN1	5663	gamma secretase inhibitor	Gamma-secretase
AVAGACESTAT	GDSC.205;GDSC.1072	BRD-K83720053	C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl	PSEN1	5663	gamma secretase inhibitor	Gamma-secretase
MK-0752	CTRP.317	BRD-K18850819	OC(=O)CC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1			gamma secretase inhibitor	Gamma-secretase
Z-LLNLE-CHO	GDSC.45		CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	PSEN1;NCSTN;APH1A;PSENEN	5663;23385;51107;55851	gamma-secretase Inhibitor	Gamma-secretase
GANT-61	CTRP.244	BRD-K09485525	CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1	GLI1;GLI2	2735;2736	GLI antagonist	Hedgehog signaling
DEXAMETHASONE	CTRP.217	BRD-A35108200	CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO	ANXA1;NOS2;NR0B1;NR3C1;NR3C2	301;4843;190;2908;4306	glucocorticoid receptor agonist	Other
16-BETA-BROMOANDROSTERONE	CTRP.1	BRD-K98404142	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](Br)C2=O	G6PD	2539	glucose 6 phosphate dehydrogenase inhibitor; immunostimulant	Other
PIPERLONGUMINE	CTRP.420;GDSC.1243	BRD-K24132293	COc1cc(cc(OC)c1OC)\C=C\C(=O)N1CCC=CC1=O			glutathione transferase inhibitor	Inducer of ROS
SB216763	GDSC.1025	BRD-K59184148	Cn1cc(C2=C(C(=O)NC2=O)c3ccc(Cl)cc3Cl)c4ccccc14	CCNA2;CDK2;GSK3A;GSK3B	890;1017;2931;2932	glycogen synthase kinase inhibitor	WNT signaling
CHIR-99021	CTRP.172	BRD-K16189898	Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl	CDK1;GSK3A;GSK3B;MAPK1	983;2931;2932;5594	glycogen synthase kinase inhibitor	WNT signaling
CHIR-99021	GDSC.154;GDSC.1241	BRD-K16189898	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N	CDK1;GSK3A;GSK3B;MAPK1	983;2931;2932;5594	glycogen synthase kinase inhibitor	WNT signaling
GSK-3 INHIBITOR IX	CTRP.248	BRD-K04923131	O\N=C1/C(Nc2ccccc12)=C1/C(=O)Nc2cc(Br)ccc12	GSK3A;GSK3B;TYK2;JAK1;JAK2;JAK3;STAT3	2931;2932;7297;3716;3717;3718;6774	glycogen synthase kinase inhibitor; lipoxygenase inhibitor	WNT signaling; Apoptosis regulation; Cell cycle
GW441756	GDSC.1023	BRD-K41312087	Cn1cc(C=C2C(=O)Nc3cccnc23)c4ccccc14	NTRK1	4914	growth factor receptor inhibitor	RTK signaling
ISOLIQUIRITIGENIN	CTRP.277	BRD-K33583600	Oc1ccc(cc1)\C=C\C(=O)c1ccc(O)cc1O	GABBR1	2550	guanylate cyclase activator	Other
EMBELIN	GDSC.172	BRD-K86727142	CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O	XIAP	331	HCV inhibitor; XIAP inhibitor	Apoptosis regulation
TACEDINALINE	CTRP.498	BRD-K52313696	CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N	HDAC1	3065	HDAC inhibitor	Chromatin histone acetylation
AR-42	GDSC.272	BRD-K13167095		HDAC1	3065	HDAC inhibitor	Chromatin histone acetylation
BELINOSTAT	CTRP.150;GDSC.274	BRD-K17743125	ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1	HDAC1;HDAC10;HDAC11;HDAC2;HDAC3;HDAC4;HDAC5;HDAC6;HDAC7;HDAC8;HDAC9	3065;83933;79885;3066;8841;9759;10014;10013;51564;55869;9734	HDAC inhibitor	Chromatin histone acetylation
APICIDIN	CTRP.34	BRD-K64606589	CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O	HDAC1;HDAC10;HDAC11;HDAC2;HDAC3;HDAC4;HDAC5;HDAC6;HDAC7;HDAC8;HDAC9	3065;83933;79885;3066;8841;9759;10014;10013;51564;55869;9734	HDAC inhibitor	Chromatin histone acetylation
VORINOSTAT	CTRP.532;GDSC.1012;gCSI.16	BRD-K81418486	ONC(=O)CCCCCCC(=O)Nc1ccccc1	HDAC1;HDAC10;HDAC11;HDAC2;HDAC3;HDAC5;HDAC6;HDAC8;HDAC9	3065;83933;79885;3066;8841;10014;10013;55869;9734	HDAC inhibitor	Chromatin histone acetylation
BRD-K88742110	CTRP.126	BRD-K88742110	COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1	HDAC1;HDAC10;HDAC6;HDAC8	3065;83933;10013;55869	HDAC inhibitor	Chromatin histone acetylation
MERCK60	CTRP.342	BRD-K04466929	CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1	HDAC1;HDAC2	3065;3066	HDAC inhibitor	Chromatin histone acetylation
JQ12	GDSC.164			HDAC1;HDAC2	3065;3066	HDAC inhibitor	Chromatin histone acetylation
DACINOSTAT	GDSC.200	BRD-K56957086	C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO	HDAC1;HDAC2;HDAC3;HDAC4;HDAC5;HDAC6;HDAC7;HDAC8;HDAC9	3065;3066;8841;9759;10014;10013;51564;55869;9734	HDAC inhibitor	Chromatin histone acetylation
PANOBINOSTAT	CTRP.413;CCLE.11	BRD-K02130563	Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1	HDAC1;HDAC2;HDAC3;HDAC4;HDAC6;HDAC7;HDAC8;HDAC9	3065;3066;8841;9759;10013;51564;55869;9734	HDAC inhibitor	Chromatin histone acetylation
VNLG/124	GDSC.271			HDAC1;HDAC2;HDAC3;HDAC8;HDAC6;RARA;RARB;RARG	3065;3066;8841;55869;10013;5914;5915;5916	HDAC inhibitor	Chromatin histone acetylation
MS-275	CTRP.336;GDSC.88;gCSI.11	BRD-K77908580	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	HDAC1;HDAC2;HDAC3;HDAC9	3065;3066;8841;9734	HDAC inhibitor	Chromatin histone acetylation
BRD-K29313308	CTRP.86	BRD-K29313308	CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N	HDAC3	8841	HDAC inhibitor	Chromatin histone acetylation
ISOX	CTRP.268;GDSC.276	BRD-K69840642	CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO	HDAC6	10013	HDAC inhibitor	Chromatin histone acetylation
TUBASTATIN A	CTRP.520;GDSC.265	BRD-K00627859	CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO	HDAC6	10013	HDAC inhibitor	Chromatin histone acetylation
BRD-K85133207	CTRP.124	BRD-K85133207	CC(=O)N[C@H]1C[C@H](C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1			HDAC inhibitor	Chromatin histone acetylation
VISMODEGIB	GDSC.1033	BRD-K44827188	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	SMO	6608	hedgehog pathway inhibitor; smoothened receptor antagonist	Hedgehog signaling
SGX-523	CTRP.449	BRD-K19477839	Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1	MET	4233	hepatocyte growth factor receptor inhibitor	RTK signaling
SU11274	CTRP.463	BRD-K02965346	CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1	MET	4233	hepatocyte growth factor receptor inhibitor; tyrosine kinase inhibitor	RTK signaling
CIMETIDINE	CTRP.195	BRD-K34157611	CN\C(NCCSCc1nc[nH]c1C)=N/C#N	HRH2;SLC29A4;SLC47A1;SLC47A2	3274;222962;55244;146802	histamine receptor antagonist	Other
BRD8958	CTRP.141	BRD-K68548958	CC1=NN(C(=O)C\1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O	EP300	2033	histone acetyltransferase inhibitor	Other
GSK-J4	CTRP.249	BRD-K98203492	CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1	KDM6A;KDM6B	7403;23135	histone lysine demethylase inhibitor	Chromatin histone methylation
UNC0638	CTRP.522;GDSC.245;GDSC.1236	BRD-K86856088	COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1	EHMT1;EHMT2	79813;10919	histone lysine methyltransferase inhibitor	Chromatin histone methylation
BIX-01294	CTRP.47	BRD-K26818574	COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1	EHMT1;EHMT2	79813;10919	histone lysine methyltransferase inhibitor	Chromatin histone methylation
QW-BI-011	CTRP.431	BRD-K72264770	COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1	EHMT2	10919	histone lysine methyltransferase inhibitor	Chromatin histone methylation
UNC0321	CTRP.521	BRD-K74236984	COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1	EHMT2	10919	histone lysine methyltransferase inhibitor	Chromatin histone methylation
SGC0946	GDSC.1264	BRD-K69577666				histone lysine methyltransferase inhibitor	Chromatin histone methylation
LOVASTATIN	CTRP.312	BRD-A70155556	CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12	HDAC2;HMGCR;ITGAL;NR1I2	3066;3156;3683;8856	HMGCR inhibitor	Metabolism
FLUVASTATIN	CTRP.240	BRD-A52530402	CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)C(c2ccccc12)c1ccc(F)cc1	HMGCR	3156	HMGCR inhibitor	Metabolism
SIMVASTATIN	CTRP.482	BRD-K22134346	CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	HMGCR;ITGB2	3156;3689	HMGCR inhibitor	Metabolism
AT13387	CTRP.17	BRD-K58435339	CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O	HSP90AA1	3320	HSP inhibitor	Protein stability and degradation
17-AAG	CTRP.2;GDSC.1026;CCLE.3	BRD-K81473043	CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O	HSP90AA1	3320	HSP inhibitor	Protein stability and degradation
LUMINESPIB	GDSC.194		CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)C3=CC=C(C=C3)CN4CCOCC4	HSP90AA1	3320	HSP inhibitor	Protein stability and degradation
CCT-018159	GDSC.1170	BRD-K65503129	CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCO4)C(=O)C=C1O	HSP90AA1;HSP90AB1	3320;3326	HSP inhibitor	Protein stability and degradation
VER-155008	CTRP.525	BRD-K32330832	Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12	HSPA1A	3303	HSP inhibitor	Protein stability and degradation
PIFITHRIN-MU	CTRP.419	BRD-K96799727	NS(=O)(=O)C#Cc1ccccc1	HSPA1A;TP53	3303;7157	HSP inhibitor	Protein stability and degradation
SNX-2112	CTRP.456;GDSC.328	BRD-K71281111	CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1			HSP inhibitor	Protein stability and degradation
IOX2	GDSC.1230	BRD-K98251413		EGLN1;KDM2A;KDM5C	54583;22992;8242	hypoxia inducible factor inhibitor	Other
BMS-536924	CTRP.51	BRD-K34581968	Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1	AKT1;CCNE1;CDK2;CYP3A4;ERBB2;IGF1R;KDR;LCK;MAPK1;MET;PDGFRA;PDGFRB	207;898;1017;1576;2064;3480;3791;3932;5594;4233;5156;5159	IGF-1 inhibitor	IGFR signaling
BMS-536924	GDSC.62;GDSC.1091	BRD-K34581968	CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCOCC5	AKT1;CCNE1;CDK2;CYP3A4;ERBB2;IGF1R;KDR;LCK;MAPK1;MET;PDGFRA;PDGFRB	207;898;1017;1576;2064;3480;3791;3932;5594;4233;5156;5159	IGF-1 inhibitor	IGFR signaling
BMS-754807	CTRP.52	BRD-K13049116	C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1	AKT1;IGF1R	207;3480	IGF-1 inhibitor	IGFR signaling
BMS-754807	GDSC.184	BRD-K13049116	CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F	AKT1;IGF1R	207;3480	IGF-1 inhibitor	IGFR signaling
GSK1904529A	GDSC.202	BRD-K04833372	CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F	IGF1R;INSR	3480;3643	IGF-1 inhibitor; insulin growth factor receptor inhibitor	IGFR signaling
AEW541	CCLE.1		C1CN(C1)CC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6	IGF1R;INSR	3480;3643	IGF-1 inhibitor; insulin growth factor receptor inhibitor	IGFR signaling
BMS-345541	CTRP.50;GDSC.203	BRD-K13566078	Cc1cnc2c(NCCN)nc3ccc(C)cc3n12	CHUK;IKBKB	1147;3551	IKK inhibitor	Modulator of NF-kappa-B signaling
TPCA-1	CTRP.496;GDSC.305	BRD-K51575138	NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1	IKBKB	3551	IKK inhibitor	Modulator of NF-kappa-B signaling
KIN001-260	GDSC.290			IKBKB	3551	IKK inhibitor	Modulator of NF-kappa-B signaling
BX795	GDSC.1037	BRD-K47983010		CDK2;CHEK1;GSK3B;KDR;PDK1;PDPK1	1017;1111;2932;3791;5163;5170	IKK inhibitor	Modulator of NF-kappa-B signaling; Mitosis
FINGOLIMOD	CTRP.239	BRD-K88025533	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	S1PR1;S1PR5	1901;53637	immunosuppressant; sphingosine phosphate receptor agonist	Sphingosine 1-phosphate receptor modulator
IMPORTAZOLE	CTRP.274	BRD-A02481876	CC(Nc1nc(nc2ccccc12)N1CCCC1)c1ccccc1	KPNB1	3837	importin-beta transport receptor inhibitor	Other
BRD-K94991378	CTRP.129	BRD-K94991378	COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c2ccccc2OCCO)[C@H]([C@H](OC3=O)c2ccccc2)c2ccccc2)C(=O)NCC=C)c2cc(ccc12)C#CCC(C(=O)OC)C(=O)OC			inducer of ROS	Inducer of ROS
BRD-K71935468	CTRP.118	BRD-K71935468	COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c3ccccc3OCCO)[C@@H]([C@@H](OC4=O)c3ccccc3)c3ccccc3)C(=O)N3CCN(CC3)c3ncccn3)c2c1)C(=O)OC			inducer of ROS	Inducer of ROS
NPC-26	CTRP.350	BRD-K36852164	CCOC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2c1CC(C)(C)NC2(C)C			"induces cell death through a non-apoptotic, mitochondrial-dependent mechanism"	Other
LBW242	CCLE.15		CC(C(=O)NC(C1CCCCC1)C(=O)N2CCC3C2CN(CC3)CCC4=CC=CC=C4)NC	XIAP;BIRC2;FLT3	331;329;2322	Inhibitor	Apoptosis regulation
VX-970				ATR	545	Inhibitor	Cell cycle; Genome integrity
EHT-1864	GDSC.1069			RAC1;RAC2;RAC3	5879;5880;5881	Inhibitor	Cytoskeleton
TL-1-85	GDSC.261			MAP3K7	6885	Inhibitor	ERK MAPK signaling
(5Z)-7-OXOZEAENOL	GDSC.1242			MAP3K7	6885	Inhibitor	ERK MAPK signaling
NG-25	GDSC.260			MAP3K7;MAP4K2	6885;5871	Inhibitor	ERK MAPK signaling
KIN001-266	GDSC.291		CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1	MAP3K8	1326	Inhibitor	ERK MAPK signaling
TL-2-105	GDSC.211			RAF1	5894	Inhibitor	ERK MAPK signaling
CMK	GDSC.64		CC1=C(C=CC(=C1)O)Cl	RPS6KA3	6197	Inhibitor	ERK MAPK signaling
SL0101	GDSC.1039			RPS6KA3;AURKB;PIM1;PIM3	6197;9212;5292;415116	Inhibitor	ERK MAPK signaling; Mitosis
DMOG	GDSC.165		COC(=O)CNC(=O)C(=O)OC	EGLN1;EGLN2;EGLN3	54583;112398;112399	Inhibitor	Metabolism
XMD14-99	GDSC.253		CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=C(S3)C(=O)C4=C(C=CC=C4Cl)Cl)N)OC	ALK;CDK7;LTK	238;1022;4058	Inhibitor	Other
XMD11-85H	GDSC.1158		CC(C)N1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C)OC)C5CCCC5	BRSK2;FLT4;MARK4;PRKCD;RET;SRPK1	9024;2324;57787;5580;5979;6732	Inhibitor	Other
CCT007093	GDSC.1067		C1CC(=CC2=CC=CS2)C(=O)C1=CC3=CC=CS3	PPM1D	8493	Inhibitor	Other
XMD15-27	GDSC.332			CAMK2A;CAMK2B;CAMK2D;CAMK2G	815;816;817;818	Inhibitor	"Other, kinases"
SHIKONIN	GDSC.170			PKM	5315	Inhibitor	"Other, kinases"
LGK974				PORCN	64840	Inhibitor	WNT signaling
PALMOSTATIN B	CTRP.411	BRD-K42137908	CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O	LYPLA1	10434	inhibitor of acyl-protein thioesterase 1	Other
BEC	CTRP.42	BRD-K53792571	N[C@H](CSCCB(O)O)C(O)=O	ARG1;ARG2	383;384	inhibitor of arginase I and II	Other
VAF-347	CTRP.524	BRD-K96335988	FC(F)(F)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1	AHR	196	inhibitor of aryl hydrocarbon receptor	Other
SZ4TA2	CTRP.464	BRD-K55125219	CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O	BCL2L1	598	inhibitor of BCL-xL	Apoptosis regulation
BRD-M00053801	CTRP.135	BRD-M00053801	C[C@H](O)[C@@H]1[C@H](CO)ON(Cc2cccc(CN(CCN(C)C)[C@H](C3CCCCC3)c3ccccc3)c2)[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C.C[C@H](O)[C@@H]1[C@H](CO)ON(Cc2cccc(CN(CCN(C)C)[C@@H](C3CCCCC3)c3ccccc3)c2)[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C	BCL2	596	inhibitor of BCL2	Apoptosis regulation
BCL-LZH-4	CTRP.41	BRD-A68258842	COc1ccc(cc1)C1C(C(=O)Nc2ccccc2)=C(C)N=c2s\c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n12	BCL2;BCL2L1;MCL1	596;598;4170	"inhibitor of BCL2, BCL-xL, and MCL1"	Apoptosis regulation
ML258	CTRP.328	BRD-A82720512	COc1ccc(CN2c3nnnn3C3C(C2=O)C2(CCCC2)Cc2ccccc32)cc1	BCL2L10	10017	inhibitor of BIM-BCL-B interaction	Apoptosis regulation
ML239	CTRP.327	BRD-K01121114	Clc1cc(Cl)c(OCC(=O)N\N=C\c2ccc[nH]2)c(Cl)c1			inhibitor of breast cancer stem cell proliferation	Other
BRD-K30748066	CTRP.88	BRD-K30748066	Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1	CDK9	1025	inhibitor of CDK9	Cell cycle
NEOPELTOLIDE	CTRP.375	BRD-K62479592	CCC[C@H]1C[C@H](C[C@H](C)C[C@@H]2C[C@H](C[C@H](CC(=O)O1)O2)OC(=O)\C=C/CCc1coc(\C=C/CNC(=O)OC)n1)OC			inhibitor of cellular respiration	Other
CERANIB-2	CTRP.189	BRD-K31514534	COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1	ACER1;ACER2;ACER3;ASAH1;ASAH2;ASAH2B	125981;340485;55331;427;56624;653308	inhibitor of ceramidase activity	Other
FUMONISIN B1	CTRP.243	BRD-A63646118	CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](CC(C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O	CERS1;CERS2;CERS3;CERS4;CERS5;CERS6	10715;29956;204219;79603;91012;253782	inhibitor of ceramide synthase	Other
PITSTOP2	CTRP.422	BRD-K90570971	Brc1ccc(cc1)\C=C1/SC(NS(=O)(=O)c2cccc3ccccc23)=NC1=O	CLTA;CLTB;CLTC;CLTCL1	1211;1212;1213;8218	inhibitor of clathrin and clathrin-independent endocytosis	Other
NECROSULFONAMIDE	CTRP.373	BRD-K64117221	COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1	MLKL	197259	inhibitor of downstream signaling of RIP3 associated with MLKL	Necroptosis inhibition
SMER-3	CTRP.453	BRD-K92960067	O=C1c2ccccc2-c2nc3nonc3nc12	CUL1;SKP1	8454;6500	inhibitor of E3-ubiquitin ligase	Protein stability and degradation
BRD-K51831558	CTRP.106	BRD-K51831558	CC(C)n1ncc2c(cc(Br)cc12)C(=O)NCc1c(C)cc(C)[nH]c1=O	EZH2	2146	inhibitor of enhancer of zeste polycomb repressive complex 2 subunit	Chromatin histone methylation
BRD-K42260513	CTRP.98	BRD-K42260513	CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O	EZH2	2146	inhibitor of enhancer of zeste polycomb repressive complex 2 subunit	Chromatin histone methylation
BRD1835	CTRP.137	BRD-K62801835	C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(O)=O)Oc2cc(ccc2S1(=O)=O)C#CCC1CCCC1	EZH2	2146	inhibitor of enhancer of zeste polycomb repressive complex 2 subunit	Chromatin histone methylation
LEPTOMYCIN B	CTRP.309	BRD-K27624156	CCC(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O	XPO1	7514	inhibitor of exportin 1	Cell cycle
L-685458	CTRP.302;CCLE.9	BRD-K87317732	CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	APH1A;NCSTN;PSEN1;PSENEN	51107;23385;5663;55851	inhibitor of gamma-secretase	Gamma-secretase
C6-CERAMIDE	CTRP.161	BRD-K08608874	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCC	MAPK1;PPP2CA;UGCG	5594;5515;7357	inhibitor of glucosylceramide synthase; activator of MAP kinase (ERK); stimulator of protein phosphatase 2A	ERK MAPK signaling
968	CTRP.6	BRD-A43210826	CN(C)c1ccc(cc1Br)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2	GLS	2744	inhibitor of glutaminase	Metabolism
ML320	CTRP.331	BRD-K81491172	COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F	GSK3B	2932	inhibitor of GSK3 beta	WNT signaling
BRD-K24690302	CTRP.78	BRD-K24690302	CN(C)CC1CN(C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1	HDAC1	3065	inhibitor of HDAC1	Chromatin histone acetylation
BRD-K80183349	CTRP.122	BRD-K80183349	CC(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1N)-c1cccs1	HDAC1;HDAC2	3065;3066	inhibitor of HDAC1 and HDAC2	Chromatin histone acetylation
BRD-K66532283	CTRP.115	BRD-K66532283	Nc1ccc(cc1NC(=O)C1=CCCC1)-c1cccs1	HDAC1;HDAC2	3065;3066	inhibitor of HDAC1 and HDAC2	Chromatin histone acetylation
BRD-K11533227	CTRP.69	BRD-K11533227	CC(=O)NC1CCN(CC1)C(=O)Nc1cc(ccc1N)-c1cccs1	HDAC1;HDAC2	3065;3066	inhibitor of HDAC1 and HDAC2	Chromatin histone acetylation
BRD-K61166597	CTRP.111	BRD-K61166597	Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)NCCc1ccncc1)-c1cccs1	HDAC1;HDAC2	3065;3066	inhibitor of HDAC1 and HDAC2	Chromatin histone acetylation
BRD-A94377914	CTRP.59	BRD-A94377914	CN1CCCCC1NC(=O)[C@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1	HDAC1;HDAC2;HDAC3;HDAC6;HDAC8	3065;3066;8841;10013;55869	"inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8"	Chromatin histone acetylation
PANDACOSTAT	CTRP.412	BRD-K44741158	ONC(=O)\C=C\c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O	HDAC1;HDAC2;HDAC3;HDAC6;HDAC8	3065;3066;8841;10013;55869	"inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8"	Chromatin histone acetylation
REPLIGEN 136	CTRP.440	BRD-K47503321	Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccc(F)cc1N	HDAC3	8841	inhibitor of HDAC3	Chromatin histone acetylation
ISONICOTINOHYDROXAMIC ACID	CTRP.278	BRD-K55478147	ONC(=O)c1ccncc1	HDAC6	10013	inhibitor of HDAC6	Chromatin histone acetylation
BRD-K51490254	CTRP.105	BRD-K51490254	ONC(=O)c1cccc(c1)C(=O)Nc1ccccc1	HDAC6;HDAC8	10013;55869	inhibitor of HDAC6 and HDAC8	Chromatin histone acetylation
BRD-K28456706	CTRP.84	BRD-K28456706	Cc1c(oc2ccc3ccccc3c12)[N+]([O-])=O	HNF4A	3172	inhibitor of hepatocyte nuclear factor 4 alpha	Metabolism
BRD-A02303741	CTRP.53	BRD-A02303741	CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H](C(O)[C@H]1O)n1cnc2c(N)ncnc12	DOT1L	84444	inhibitor of histone methyltransferases	Chromatin histone methylation
PF-184	CTRP.393	BRD-K11593101	C[C@@]1(CO)CN(C[C@]1(C)CO)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1	IKBKB	3551	inhibitor of IKK-2	Modulator of NF-kappa-B signaling
CAY10576	CTRP.163;GDSC.91	BRD-K51781482	COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC	IKBKE;TBK1;IKBKB	9641;29110;3551	inhibitor of IKK-epsilon	Modulator of NF-kappa-B signaling
ML334 DIASTEREOMER	CTRP.332	BRD-K93367411	OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	KEAP1;NFE2L2	9817;4780	inhibitor of J405 protein-protein interaction	Other
MOMELOTINIB	CTRP.346	BRD-K87737963	O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1	JAK1;JAK2	3716;3717	inhibitor of Janus kinases 1 and 2	Apoptosis regulation; Cell cycle
ISPINESIB MESYLATE	GDSC.208			KIF11	3832	Inhibitor ofÊkinesin spindle protein	Mitosis
BRD-K55116708	CTRP.108	BRD-K55116708	C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc2ccccc2N)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O			inhibitor of leukemic stem cells	Other
FQI-1	CTRP.236	BRD-A91658086	CCOc1ccccc1C1CC(=O)Nc2cc3OCOc3cc12	TFCP2	7024	inhibitor of LSF1-mediated transcription	Other
FQI-2	CTRP.237	BRD-K35498412	CCOc1ccccc1-c1cc(=O)[nH]c2cc3OCOc3cc12	TFCP2	7024	inhibitor of LSF1-mediated transcription	Other
METHYLSTAT	CTRP.344	BRD-K52560704	COC(=O)\C=C\C(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1	KDM3A;KDM4A;KDM4B;KDM4C;KDM4D	55818;9682;23030;23081;55693	inhibitor of lysine specific demethylases	Chromatin histone methylation
CBB-1007	CTRP.166	BRD-K84754008	COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N	KDM1A	23028	inhibitor of lysine-specific demethylase 1A (LSD1)	Chromatin histone methylation
CYANOQUINOLINE 11	CTRP.205	BRD-K00088062	Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl	MAP3K8	1326	inhibitor of MAP3K8; inhibitor of phosphorylated EGFR in cells	ERK MAPK signaling; EGFR signaling
ML311	CTRP.329	BRD-A40802033	CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1ccc2cccnc2c1O	MCL1	4170	inhibitor of MCL1	Apoptosis regulation
BRD-K35604418	CTRP.94	BRD-K35604418	Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O	MCL1	4170	inhibitor of MCL1	Apoptosis regulation
BRD-K79669418	CTRP.121	BRD-K79669418	CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O	MDM2;MDM4	4193;4194	inhibitor of MDM4-p53 interaction	p53 pathway
MYRICETIN	CTRP.347	BRD-K43149758	Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O	MAP2K1;PIK3CG	5604;5294	Inhibitor of MEK1 and PI3K	ERK MAPK signaling; PI3K/MTOR signaling
NECROSTATIN-7	CTRP.372	BRD-K50145167	Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1nccs1			inhibitor of necroptosis	Necroptosis inhibition
FSC231	CTRP.238	BRD-K24784241	CCOC(=O)NC(=O)C(=C\c1ccc(Cl)c(Cl)c1)\C#N	PICK1	9463	inhibitor of PDZ domain of protein interacting with PRKCA 1 (PICK1)	"Other, kinases"
TRIAZOLOTHIADIAZINE	CTRP.517	BRD-K05402890	COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1	PDE4A;PDE4B;PDE4D	5141;5142;5144	inhibitor of phosphdiesterase 4A/B/D	Other
VU0155056	CTRP.526	BRD-K31406481	O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1	PLD1;PLD2	5337;5338	inhibitor of phospholipase D1/D2	Other
CAY10594	CTRP.164	BRD-K61662457	O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1	PLD2	5338	inhibitor of phospholipase D2	Other
BRD-K70511574	CTRP.116	BRD-K62825658	COc1ccc(cc1)S(=O)(=O)N(C(=O)C)c2ccccc2C=Cc3cc[n+]([O-])cc3	PLK1	5347	inhibitor of polo-like kinase 1 (PLK1)	Cell cycle
B02	CTRP.40	BRD-K10882151	O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12	RAD51	5888	inhibitor of RAD51	Genome integrity
ML312	CTRP.330	BRD-K70809902	CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)CN([C@H](C)CO)C(=O)c2c1	SCARB1	949	"inhibitor of scavenger receptor class B, member 1 (SCARB1)-mediated lipid uptake"	Other
JW-480	CTRP.288	BRD-K99655327	CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1	NCEH1	57552	inhibitor of serine hydrolase enzyme NCEH	Other
SALERMIDE	CTRP.465	BRD-A67788537	CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1	SIRT1;SIRT2	23411;22933	inhibitor of sirtuin 1 and sirtuin 2	Chromatin histone acetylation
ML031	CTRP.321	BRD-K38985961	Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1	S1PR2	9294	inhibitor of sphingosine 1-phosphate receptor 2	Sphingosine 1-phosphate receptor modulator
CUCURBITACIN I	CTRP.203	BRD-A28105619	CC(C)(O)\C=C\C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	JAK2;STAT3	3717;6774	inhibitor of STAT3/JAK2 signaling; JAK inhibitor; lipocortin synthesis stimulant; STAT inhibitor	Apoptosis regulation; Cell cycle
NSC30930	CTRP.354	BRD-K29711668	OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1	SRD5A2	6716	inhibitor of steroid 5-alpha reductase	Hormone-related
HBX-41108	CTRP.261	BRD-K50501969	Clc1ccc-2c(c1)C(=O)c1nc(C#N)c(nc-21)C#N	USP7	7874	inhibitor of the deubiquitinase activity of USP7	Protein stability and degradation
IPR-456	CTRP.267	BRD-A76527075	CC1CC(C)CN(C1)c1cc(Nc2ccccc2C(O)=O)c2C(=O)c3ccccc3-c3onc1c23	PLAUR	5329	inhibitor of the interaction of urokinase receptor with binding partners	Other
BAFILOMYCIN A1	CTRP.146	BRD-K86787118	CO[C@H]1\C=C\C=C(C)\C[C@@H](C)[C@H](O)[C@H](C)\C=C(C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C[C@@H](O)[C@H](C)[C@H](O1)C(C)C	ATP6V0A1	535	inhibitor of the vacuolar-type H+-ATPase	Other
NSC48300	CTRP.355	BRD-K45748132	O[As](O)(=O)c1ccc(Cc2ccc(cc2)[As](O)(O)=O)cc1	TASP1	55617	inhibitor of threonine endopeptidase taspase 1	Other
CHM-1	CTRP.173	BRD-K94145482	Fc1ccccc1-c1cc(=O)c2cc3OCOc3cc2[nH]1			inhibitor of tubulin polymerization	Mitosis
CCT036477	CTRP.167	BRD-A22997170	Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Cl)cc1			inhibitor of WNT signaling by blocking beta-catenin transcription	WNT signaling
FGIN-1-27	CTRP.234	BRD-K09778810	CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1	TSPO	706	inositol monophosphatase inhibitor	Other
NVP-ADW742	CTRP.359	BRD-K15179513	Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1	IGF1R	3480	insulin growth factor receptor inhibitor	IGFR signaling
OSI-906	CTRP.383;GDSC.185	BRD-K08589866	CC1(O)CC(C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26	IGF1R;INSR;INSRR	3480;3643;3645	insulin growth factor receptor inhibitor; insulin receptor antagonist	IGFR signaling
ERASTIN	CTRP.228	BRD-A25004090	CCOc1ccccc1-n1c(=O)c2ccccc2nc1C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1	VDAC2	7417	ion channel antagonist	Metabolism
BMS-509744	GDSC.63	BRD-A29901043	CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)(C)C	ITK	3702	ITK inhibitor	Other
AZD1480	CTRP.24	BRD-K65928735	C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1	JAK1;JAK2;JAK3	3716;3717;3718	JAK inhibitor	Apoptosis regulation; Cell cycle
RUXOLITINIB	CTRP.442;GDSC.206	BRD-K53972329	N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12	JAK1;JAK2;JAK3;TYK2	3716;3717;3718;7297	JAK inhibitor	Apoptosis regulation; Cell cycle
NVP-BSK805	CTRP.361	BRD-K02017404	Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1	JAK2	3717	JAK inhibitor	Apoptosis regulation; Cell cycle
AS601245	GDSC.207	BRD-A60245366	C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4)S2	GSK3B;MAPK10;MAPK8;MAPK9;PIM1	2932;5602;5599;5601;5292	JNK inhibitor	JNK and p38 signaling
PYRAZOLANTHRONE	CTRP.429	BRD-K01567962	O=C1c2ccccc2-c2n[nH]c3cccc1c23	MAPK10;MAPK8;MAPK8IP1;MAPK9;TTK	5602;5599;9479;5601;7272	JNK inhibitor	JNK and p38 signaling
JNK-9L	GDSC.157	BRD-K19220233	N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1)N1CCOCC1	MAPK8	5599	JNK inhibitor	JNK and p38 signaling
ZG-10	GDSC.1161	BRD-U51951544	CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4	MAPK8	5599	JNK inhibitor	JNK and p38 signaling
JNK INHIBITOR VIII	GDSC.1043			MAPK8;MAPK9;MAPK10	5599;5601;5602	JNK inhibitor	JNK and p38 signaling
BRD9876	CTRP.143	BRD-K89329876	CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N	KIF11	3832	kinesin inhibitor	Mitosis
SB-743921	CTRP.446	BRD-K62358710	CC(C)[C@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1	KIF11	3832	kinesin-like spindle protein inhibitor	Mitosis
MASITINIB	CTRP.340;GDSC.292	BRD-K71035033	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1	FGFR3;KIT;PDGFRA;PDGFRB	2261;3815;5156;5159	KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; src inhibitor	RTK signaling
PAZOPANIB	CTRP.416;GDSC.199	BRD-K74514084	CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1	CSF1R;FGF1;FGFR1;FGFR3;FLT1;FLT4;ITK;KDR;KIT;PDGFRA;PDGFRB;SH2B3	1436;2246;2260;2261;2321;2324;3702;3791;3815;5156;5159;10019	KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
MOTESANIB	GDSC.1029	BRD-K99616396	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	FLT1;FLT4;KDR;KIT	2321;2324;3791;3815	KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
KI8751	CTRP.300	BRD-K47150025	COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC	KDR	3791	KIT inhibitor; PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
CEDIRANIB	CTRP.188	BRD-K86930074	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1	CSF1R;FLT1;FLT3;FLT4;KDR;KIT;PDGFRA;PDGFRB	1436;2321;2322;2324;3791;3815;5156;5159	KIT inhibitor; VEGFR inhibitor	RTK signaling
OSI-930	CTRP.384	BRD-K25340465	FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1	KDR;KIT	3791;3815	KIT inhibitor; VEGFR inhibitor	RTK signaling
OSI-930	GDSC.298	BRD-K25340465	FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1	KDR;KIT	3791;3815	KIT inhibitor; VEGFR inhibitor	RTK signaling
UNC1215	GDSC.1262	BRD-K83189926		L3MBTL3	84456	L3MBTL antagonist	Chromatin other
JW-7-24-1	GDSC.256	BRD-U68942961	COC1=CC(=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F)OC	LCK	3932	LCK Inhibitor	"Other, kinases"
A-770041	GDSC.55		CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)C(=NC=N4)N	LCK;FYN	3932;2534	LCK Inhibitor	"Other, kinases"
LRRK2-IN-1	CTRP.304	BRD-K01436366	COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1	LRRK2	120892	leucine rich repeat kinase inhibitor	"Other, kinases"
XMD8-85	GDSC.106	BRD-K64857848	COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1	LRRK2;MAPK7	120892;5598	leucine rich repeat kinase inhibitor; MAP kinase inhibitor	ERK MAPK signaling
T0901317	GDSC.333	BRD-K23383398	OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F	NCOA1;NCOA2;NR1H2;NR1H3;NR1I2;RXRB	8648;10499;7376;10062;8856;6257	LXR agonist	Other
XMD8-92	GDSC.1164	BRD-K50387473	CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1	DCLK2;MAPK7;PLK4;TNK1	166614;5598;10733;8711	MAP kinase inhibitor	ERK MAPK signaling
VX-11E	GDSC.262	BRD-K93725829		MAPK1	5594	MAP kinase inhibitor	ERK MAPK signaling
FR-180204	GDSC.263	BRD-K68756823	Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1	MAPK1;MAPK3	5594;5595	MAP kinase inhibitor	ERK MAPK signaling
HLI 373	CTRP.263	BRD-K17349619	CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12	MDM2	4193	MDM inhibitor	p53 pathway
RITA	CTRP.436	BRD-K00317371	OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1	MDM2	4193	MDM inhibitor	p53 pathway
SERDEMETAN	GDSC.1133	BRD-K65924316	C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4	MDM2	4193	MDM inhibitor	p53 pathway
NUTLIN-3	CTRP.380;GDSC.1047;CCLE.6	BRD-A12230535	COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1	MDM2;TP53	4193;7157	MDM inhibitor	p53 pathway
SJ-172550	CTRP.451	BRD-K93095519	CCOc1cc(cc(Cl)c1OCC(=O)OC)\C=C1C(=O)N(N=C/1C)c1ccccc1	MDM4	4194	MDM inhibitor	p53 pathway
NSC-207895	GDSC.269			MDM4	4194	MDM inhibitor	p53 pathway
JNJ-26854165	CTRP.281	BRD-K60219430	C(Cc1c[nH]c2ccccc12)Nc1cccc(Nc2ccncc2)c1	MDM2	4193	MDM inhibitor; angiogenesis stimulant; apoptosis stimulant	p53 pathway
AZD6244	CTRP.26;GDSC.1498;CCLE.19	BRD-K57080016	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO	MAP2K1	5604	MEK inhibitor	ERK MAPK signaling
PD318088	CTRP.391	BRD-A57798112	OCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F	MAP2K1	5604	MEK inhibitor	ERK MAPK signaling
PD0325901	GDSC.1060;CCLE.16;gCSI.12	BRD-K49865102	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O	MAP2K1	5604	MEK inhibitor	ERK MAPK signaling
SELUMETINIB	GDSC.1062	BRD-K57080016	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	MAP2K1	5604	MEK inhibitor	ERK MAPK signaling
GSK1120212	CTRP.251;GDSC.1372	BRD-K12343256	CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O	MAP2K1;MAP2K2	5604;5605	MEK inhibitor	ERK MAPK signaling
REFAMETINIB	GDSC.1014;GDSC.1526	BRD-K85751432	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F	MAP2K1;MAP2K2	5604;5605	MEK inhibitor	ERK MAPK signaling
CI-1040	GDSC.1015	BRD-K05104363	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	MAP2K1;MAP3K1;MAP3K2	5604;4214;10746	MEK inhibitor	ERK MAPK signaling
BIX02189	GDSC.279	BRD-K73368362	CN(C)Cc1cccc(NC(c2ccccc2)=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c1	MAP2K5;MAPK7	5607;5598	MEK inhibitor	ERK MAPK signaling
CICLOPIROX	CTRP.193	BRD-K13044802	Cc1cc(C2CCCCC2)n(O)c(=O)c1	ATP1A1	476	membrane integrity inhibitor	Other
CYTOCHALASIN B	CTRP.208	BRD-K26664453	C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]22OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@H]2[C@H](O)C1=C	ACTB	60	microtubule inhibitor	Mitosis
VINBLASTINE	GDSC.1004	BRD-K06519765	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	JUN;TUBA1A;TUBB;TUBD1;TUBE1;TUBG1	3725;7846;203068;51174;51175;7283	microtubule inhibitor; tubulin polymerization inhibitor	Mitosis
EPOTHILONE B	GDSC.201	BRD-K68164687		TUBA1A;TUBA1B;TUBA1C;TUBA3C;TUBA4A;TUBA8;TUBB;TUBB1;TUBB3;TUBB4A;TUBB4B	7846;10376;84790;7278;7277;51807;203068;81027;10381;10382;10383	microtubule stabilizing agent; tubulin polymerization inhibitor	Mitosis
S-TRITYL-L-CYSTEINE	GDSC.41	BRD-K09774593	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)[O-])[NH3+]			mitotic kinesin inhibitor	Mitosis
CID-5951923	CTRP.175	BRD-A86956638	CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)\C=C\c1cccc(c1)[N+]([O-])=O	KLF5	688	modulator of KLF5 expression	Other
PROCARBAZINE	CTRP.426	BRD-K13032584	CNNCc1ccc(cc1)C(=O)NC(C)C			monoamine oxidase inhibitor	DNA replication
MPS-1-IN-1	GDSC.294	BRD-K94853001		TTK	7272	monopolar spindle 1 kinase inhibitor	Mitosis
AZ-3146	CTRP.20	BRD-K59146805	COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1			monopolar spindle 1 kinase inhibitor	Mitosis
RAPAMYCIN	CTRP.438;GDSC.3;gCSI.14	BRD-K84937637	CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O	FGF2;FKBP1A;MTOR	2247;2280;2475	mTOR inhibitor	PI3K/MTOR signaling
JW-7-52-1	GDSC.83		[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]	MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
KU-0063794	CTRP.295	BRD-K67566344	COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1	MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
AZD8055	CTRP.29;GDSC.1059	BRD-K69932463	COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
TEMSIROLIMUS	CTRP.506;GDSC.1016	BRD-K08177763	CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO	MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
OSI-027	CTRP.382	BRD-K87124298	COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12	MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
OSI-027	GDSC.299	BRD-K87124298	COc1cccc2cc([nH]c12)-c1nc([C@@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12	MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
Everolimus				MTOR	2475	mTOR inhibitor	PI3K/MTOR signaling
QL-VIII-58	GDSC.1166			MTOR;ATR	2475;545	mTOR inhibitor	PI3K/MTOR signaling
QL-X-138	GDSC.331	BRD-U33728988	CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C	BTK;JAK3;MKNK2;MTOR;PRKDC	695;3718;2872;2475;5591	mTOR inhibitor	PI3K/MTOR signaling; Inhibitor of BMX and/or BTK
NVP-BEZ235	CTRP.360;GDSC.1057	BRD-K12184916	Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1	ATR;MTOR;PIK3CA;PIK3CD;PIK3CG	545;2475;5290;5293;5294	mTOR inhibitor; PI3K inhibitor	PI3K/MTOR signaling
OMIPALISIB	GDSC.283	BRD-K07972848	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	MTOR;PIK3CA;PIK3CB;PIK3CD;PIK3CG	2475;5290;5291;5293;5294	mTOR inhibitor; PI3K inhibitor	PI3K/MTOR signaling
PI-103	CTRP.400;GDSC.302	BRD-K67868012	Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1	MTOR;PIK3CA;PIK3CB;PIK3CD;PIK3CG;PRKDC	2475;5290;5291;5293;5294;5591	mTOR inhibitor; PI3K inhibitor	PI3K/MTOR signaling
GMX-1778	CTRP.247	BRD-K47335880	Clc1ccc(OCCCCCC\N=C(\NC#N)Nc2ccncc2)cc1	NAMPT	10135	NAMPT inhibitor	Metabolism
CAY10618	CTRP.165	BRD-K83289131	O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1	NAMPT	10135	NAMPT inhibitor	Metabolism
STF-31	CTRP.462	BRD-K22477529	CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1	NAMPT;SLC2A1	10135;6513	NAMPT inhibitor	Metabolism
AVICIN D	CTRP.36	BRD-A15100685	CC1O[C@@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)OC(=O)C(\CO)=C\CC[C@](C)(O[C@@H]4OC(C)[C@@H](OC(=O)C(\CO)=C\CCC(C)(O)C=C)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@@H](NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O			natural product	Other
AUSTOCYSTIN D	CTRP.35	BRD-K25987073	CC(C)(O)CCc1ccc(O)c2c1oc1cc3O[C@H]4OC=C[C@@]4(O)c3c(O)c1c2=O			natural product; inducer of DNA damage	DNA replication
NAKITERPIOSIN	CTRP.362	BRD-K38264551	C[C@H]1C[C@@H](OC1=O)[C@@H](O)[C@@H](C(Cl)Cl)c1ccc2[C@@H]3C[C@@H](Br)[C@]45O[C@H](C[C@]4(C)[C@H]3C(=O)c2c1C)CO[C@H]5O			natural product; inhibitor of microtubule assembly	Mitosis
MARINOPYRROLE A	CTRP.339	BRD-K57261999	Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(cc(Cl)c1Cl)C(=O)c1ccccc1O	MCL1	4170	natural product; putative inhibitor of MCL1	Apoptosis regulation
MLN4924	CTRP.335;GDSC.1529	BRD-K67844266	NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12	NAE1;UBA3	8883;9039	nedd activating enzyme inhibitor	Other
CHEMBL1222381	CTRP.170	BRD-K53903639	O=C(NC1CC1)c1cc(on1)-c1cccs1	NEUROD1	4760	neural stem cell inducer	Other
KHS101	CTRP.292	BRD-K78978711	CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1	TACC3	10460	neural stem cell inducer	Other
PARTHENOLIDE	CTRP.415	BRD-K81651477	C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1			NFkB pathway inhibitor	Chromatin histone acetylation; Inducer of ROS; Modulator of NF-kappa-B signaling
PARTHENOLIDE	GDSC.89	BRD-K98548675	CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C			NFkB pathway inhibitor	Chromatin histone acetylation; Modulator of NF-kappa-B signaling
CHEMBL374350	CTRP.171	BRD-K59962020	Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C			NFkB pathway inhibitor	Modulator of NF-kappa-B signaling
BORTEZOMIB	CTRP.157;GDSC.104;gCSI.2	BRD-K88510285	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	PSMA1;PSMA2;PSMA3;PSMA4;PSMA5;PSMA6;PSMA7;PSMA8;PSMB1;PSMB10;PSMB11;PSMB2;PSMB3;PSMB4;PSMB5;PSMB6;PSMB7;PSMB8;PSMB9;PSMD1;PSMD2;RELA	5682;5683;5684;5685;5686;5687;5688;143471;5689;5699;122706;5690;5691;5692;5693;5694;5695;5696;5698;5707;5708;5970	NFkB pathway inhibitor; proteasome inhibitor	Protein stability and degradation; Modulator of NF-kappa-B signaling
FK866	CTRP.235;GDSC.1248	BRD-K58550667	O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1	NAMPT	10135	niacinamide phosphoribosyltransferase inhibitor	Metabolism
BARDOXOLONE METHYL	CTRP.148	BRD-K59437938	COC(=O)[C@@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)CC2	PPARG;STAT3	5468;6774	nuclear factor erythroid derived; like (NRF2) activator	Other
AVRAINVILLAMIDE	CTRP.37	BRD-K10466330	CC1(C)Oc2ccc3C4=C[C@@]56NC(=O)[C@]7(CCCN7C5=O)C[C@H]6C(C)(C)C4=[N+]([O-])c3c2C=C1			nucleophosmin inhibitor	Other
LOMEGUATRIB	CTRP.311	BRD-K27955832	Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1	MGMT	4255	O6-alkylguanine-DNA alkyltransferase inhibitor	Chromatin histone methylation
O-6-BENZYLGUANINE	CTRP.381	BRD-K92041145	Nc1nc(OCc2ccccc2)c2[nH]cnc2n1	MGMT	4255	O6-alkylguanine-DNA alkyltransferase inhibitor	Chromatin histone methylation
ELESCLOMOL	GDSC.1031	BRD-K82135108	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	HSPA1A	3303	oxidative stress inducer	Protein stability and degradation
IPA-3	GDSC.176	BRD-K38727704	C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O	PAK1	5058	p21 activated kinase inhibitor	Cytoskeleton
PF-3758309	CTRP.394	BRD-K37764012	CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1	PAK4	10298	p21 activated kinase inhibitor	Cytoskeleton
BIRB-0796	CTRP.46	BRD-K74065929	Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C	MAPK11;MAPK12;MAPK13;MAPK14	5600;6300;5603;1432	p38 MAPK inhibitor	JNK and p38 signaling
DORAMAPIMOD	GDSC.1042	BRD-K74065929		MAPK11;MAPK12;MAPK13;MAPK14	5600;6300;5603;1432	p38 MAPK inhibitor	JNK and p38 signaling
VX-702	GDSC.1028	BRD-K07736136	C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F	MAPK11;MAPK12;MAPK14	5600;6300;1432	p38 MAPK inhibitor	JNK and p38 signaling
SKEPINONE-L	CTRP.485	BRD-K83607951	OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1	MAPK14	1432	p38 MAPK inhibitor	JNK and p38 signaling
TAK-715	GDSC.221	BRD-K52751261	CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1	MAPK14	1432	p38 MAPK inhibitor	JNK and p38 signaling
AZD-2281	CTRP.21;GDSC.1017;GDSC.1495	BRD-K02113016	Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1	PARP1;PARP2	142;10038	PARP inhibitor	Genome integrity
RUCAPARIB	GDSC.1175	BRD-K88560311	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F.OP(=O)(O)O	PARP1;PARP2	142;10038	PARP inhibitor	Genome integrity
TALAZOPARIB	GDSC.1259	BRD-K95142244		PARP2	10038	PARP inhibitor	Genome integrity
ABT-888	CTRP.12;GDSC.1018	BRD-K87142802	C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O	PARP1;PARP2	142;10038	PARP inhibitor; DNA repair enzyme inhibitor	Genome integrity
LINIFANIB	CTRP.310;GDSC.277	BRD-K99749624	Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1	CSF1;CSF1R;FLT1;FLT3;FLT4;KDR;KIT;PDGFRB;RET;TEK	1435;1436;2321;2322;2324;3791;3815;5159;5979;7010	PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
AXITINIB	CTRP.38;GDSC.1021	BRD-K29905972	CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1	CSF1;FLT1;FLT4;KDR;PLK4	1435;2321;2324;3791;10733	PDGFR tyrosine kinase receptor inhibitor; VEGFR inhibitor	RTK signaling
TOSEDOSTAT	CTRP.514	BRD-K92241597	CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1	ANPEP;LAP3;NPEPPS	290;51056;9520	peptidase inhibitor	Other
AS605240	GDSC.224	BRD-K41895714	O=C1NC(=O)C(S1)=C/c1ccc2nccnc2c1	MAOB;PIK3CA;PIK3CB;PIK3CD;PIK3CG	4129;5290;5291;5293;5294	Phosphatidylinositol 3-kinase (PI3K) inhibitor; PI3K inhibitor	PI3K/MTOR signaling
SILDENAFIL	CTRP.480	BRD-K50128260	CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4	PDE5A;PDE6G;PDE6H;SLCO1B1;SLCO1B3	8654;5148;5149;10599;28234	phosphodiesterase inhibitor	Other
OSU-03012	GDSC.167	BRD-K90497590	C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F	PDPK1	5170	phosphoinositide dependent kinase inhibitor	PI3K/MTOR signaling
KIN001-244	GDSC.287	BRD-K09186807	Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F	PDPK1	5170	phosphoinositide dependent kinase inhibitor	PI3K/MTOR signaling
XL765	CTRP.539	BRD-K75308783	COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1	MTOR;PIK3CG	2475;5294	PI3K inhibitor	PI3K/MTOR signaling
PIK-93	CTRP.401;GDSC.303	BRD-K29395450	CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO	PI4KB;PIK3C3;PIK3CG	5298;5289;5294	PI3K inhibitor	PI3K/MTOR signaling
BYL-719	CTRP.145	BRD-K54997624	Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F	PIK3CA;PIK3CB;PIK3CD;PIK3CG	5290;5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
GDC-0941	CTRP.246;GDSC.1058;GDSC.1527;gCSI.7	BRD-K52911425	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1	PIK3CA;PIK3CB;PIK3CD;PIK3CG	5290;5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
AZD6482	CTRP.27;GDSC.156;GDSC.1066	BRD-K58772419	C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1	PIK3CA;PIK3CB;PIK3CD;PIK3CG	5290;5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
CAL-101	CTRP.162	BRD-K60866521	CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	PIK3CA;PIK3CB;PIK3CD;PIK3CG	5290;5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
TG-100-115	CTRP.493	BRD-K64785675	Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1	PIK3CA;PIK3CB;PIK3CD;PIK3CG	5290;5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
IDELALISIB	GDSC.238	BRD-K60866521		PIK3CA;PIK3CB;PIK3CD;PIK3CG	5290;5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
GSK2636771	CTRP.252	BRD-K49215523	Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O	PIK3CB	5291	PI3K inhibitor	PI3K/MTOR signaling
TGX221	CTRP.495;GDSC.94	BRD-A41692738	CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1	PIK3CB;PIK3CD	5291;5293	PI3K inhibitor	PI3K/MTOR signaling
ZSTK474	CTRP.543;GDSC.223	BRD-K63068307	FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1	PIK3CB;PIK3CD;PIK3CG	5291;5293;5294	PI3K inhibitor	PI3K/MTOR signaling
IC-87114	CTRP.266	BRD-K75430629	Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O	PIK3CD	5293	PI3K inhibitor	PI3K/MTOR signaling
GSK1059615	CTRP.250	BRD-K06750613	O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1	PIK3CG	5294	PI3K inhibitor	PI3K/MTOR signaling
YM201636	GDSC.310	BRD-K48488978	Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1			PI3K inhibitor	PI3K/MTOR signaling
ENZASTAURIN	GDSC.229	BRD-K79404599		AKT1;GSK3B;PRKCA;PRKCB;PRKCD;PRKCG	207;2932;5578;5579;5580;5582	PKC inhibitor	PKC signaling
SOTRASTAURIN	CTRP.487	BRD-K16761703	CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1	PRKCA;PRKCB;PRKCD;PRKCE;PRKCH;PRKCQ	5578;5579;5580;5581;5583;5588	PKC inhibitor	PKC signaling
STAUROSPORINE	CTRP.489	BRD-K17953061	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13	CDK2;GSK3B;CAMK2B;CDK1;CDK5;CHEK1;CHRM1;CHRM2;CHRM4;CSK;DAPK1;GPR35;IKBKB;ITK;LCK;LRRK2;MAP2K4;MAP2K6;MAPKAPK2;PAK2;PDPK1;PHKG2;PIK3CG;PIM1;PKN1;PRKACB;PRKCI;PRKCQ;RPS6KA1;STK3;SYK;TNIK;ZAP70	1017;2932;816;983;1020;1111;1128;1129;1132;1445;1612;2859;3551;3702;3932;120892;6416;5608;9261;5062;5170;5261;5294;5292;5585;5567;5584;5588;6195;6788;6850;23043;7535	PKC inhibitor; AKT inhibitor; BMX inhibitor; CDK inhibitor; CHK inhibitor; G protein coupled receptor agonist; glycogen synthase kinase inhibitor; leucine rich repeat kinase inhibitor; ribosomal protein inhibitor; sodium/hydrogen exchanger inhibitor	Cell cycle
BI-2536	CTRP.43;GDSC.60	BRD-K64890080	CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O	BRD4;PLK1;PLK2;PLK3	23476;5347;10769;1263	PLK inhibitor	Cell cycle
GSK461364	CTRP.254	BRD-K92428232	C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F	PLK1	5347	PLK inhibitor	Cell cycle
GW843682X	CTRP.257;GDSC.87	BRD-K90382497	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC	PLK1;PLK3	5347;1263	PLK inhibitor	Cell cycle
NPK76-II-72-1	GDSC.257		CC1CC(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C	PLK3	1263	PLK inhibitor	Cell cycle
FH535	GDSC.173	BRD-K48112880	CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl	PPARD;PPARG	5467;5468	PPAR receptor antagonist; WNT signaling inhibitor	WNT signaling
PRL-3 INHIBITOR I	CTRP.406	BRD-K09907482	Brc1ccc(OCc2ccccc2Br)c(\C=C2\SC(=S)NC2=O)c1	PTP4A3	11156	PRL phosphatase inhibitor; tyrosine phosphatase inhibitor	Other
PLURIPOTIN	CTRP.424	BRD-K98538768	CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C	MAPK1;RASAL1	5594;8437	promoter of embryonic stem cell self-renewal; inhibitor of Ras-GAP and ERK	ERK MAPK signaling
MG-132	CTRP.313;GDSC.9	BRD-K60230970	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O	PSMB1	5689	proteasome inhibitor	Protein stability and degradation
MLN2238	CTRP.333	BRD-K78659596	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O			proteasome inhibitor	Protein stability and degradation
BRYOSTATIN 1	GDSC.197	BRD-K47405978	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O	PRKCE	5581	protein kinase C inhibitor	PKC signaling
HG-5-113-01	GDSC.1142	BRD-U82589721	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=NC=C(C=C4)C(=O)NC	ABL1;LTK;STK10	25;4058;6793	protein kinase inhibitor	ABL and/or SRC signaling
FMK	GDSC.231	BRD-K24859147		RPS6KA3	6197	protein kinase inhibitor	ERK MAPK signaling
HG-5-88-01	GDSC.1143	BRD-U44700465	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OC	COQ8B;EGFR	79934;1956	protein kinase inhibitor	"Other, kinases"
BREFELDIN A	CTRP.159	BRD-A31107743	CC1CCC\C=C/C2CC(O)CC2C(O)\C=C/C(=O)O1	ARF1;CYTH2	375;9266	protein synthesis inhibitor	Protein synthesis
OMACETAXINE MEPESUCCINATE	CTRP.387	BRD-K76674262	COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC	RPL3	6122	protein synthesis inhibitor	Protein synthesis
SCH-79797	CTRP.448	BRD-K17140735	CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1	F2R	2149	proteinase activated receptor antagonist	Other
A-804598	CTRP.7	BRD-K76894955	C[C@H](\N=C(\NC#N)Nc1cccc2ncccc12)c1ccccc1	P2RX7	5027	purinergic receptor antagonist	Other
BRD-A71883111	CTRP.57	BRD-A71883111	Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)Cc1cccs1	IDH1	3417	putative inhibitor of IDH1 R132H	Other
BRD-A05715709	CTRP.56	BRD-A05715709	Cc1ccccc1C(N(C(=O)Cc1ccncc1)c1cccc(F)c1)C(=O)NC1CCCCC1	IDH1	3417	putative inhibitor of IDH1 R132H	Other
BX-912	GDSC.222	BRD-K49669041	Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4	CDK2;CHEK1;GSK3B;KDR;PDK1;PDPK1	1017;1111;2932;3791;5163;5170	pyruvate dehydrogenase kinase inhibitor	"Other, kinases"
AZD7545	CTRP.22	BRD-K52836380	CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1	PDK1	5163	pyruvate dehydrogenase kinase inhibitor	"Other, kinases"
ML203	CTRP.325	BRD-K80672993	Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1	PKM	5315	pyruvate kinase isozyme activator	"Other, kinases"
HG6-64-1	GDSC.159			BRAF	673	RAF inhibitor	ERK MAPK signaling
GDC-0879	CTRP.245	BRD-K67578145	OCCn1cc(c(n1)-c1ccncc1)-c1ccc2c(CC\C2=N/O)c1	BRAF	673	RAF inhibitor	ERK MAPK signaling
SB590885	GDSC.1061	BRD-K78809024	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2	BRAF	673	RAF inhibitor	ERK MAPK signaling
PLX4720	CTRP.404;GDSC.1371;CCLE.20	BRD-K16478699	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F	BRAF;KDR	673;3791	RAF inhibitor	ERK MAPK signaling
PLX-4720	GDSC.1036	BRD-K16478699	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F	BRAF;KDR	673;3791	RAF inhibitor	ERK MAPK signaling
DABRAFENIB	CTRP.210;GDSC.1373	BRD-K09951645	CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F	BRAF;LIMK1;NEK11;RAF1;SIK1	673;3984;79858;5894;150094	RAF inhibitor	ERK MAPK signaling
PLX-4032	CTRP.403	BRD-K56343971	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F	BRAF;RAF1	673;5894	RAF inhibitor	ERK MAPK signaling
AZ628	GDSC.29	BRD-K05804044	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	BRAF;RAF1	673;5894	RAF inhibitor	ERK MAPK signaling
MLN2480	CTRP.334	BRD-K43410529	C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(s1)C(=O)Nc1cc(c(Cl)cn1)C(F)(F)F			RAF inhibitor	ERK MAPK signaling
RAF265	CTRP.434;CCLE.21	BRD-K93123848	Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12	BRAF	673	RAF inhibitor; VEGFR inhibitor	RTK signaling; ERK MAPK signaling
NSC23766	CTRP.353	BRD-A80213327	CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1			Ras GTPase inhibitor	Other
CABOZANTINIB	CTRP.183;GDSC.249	BRD-K51544265	COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC	KDR;MET	3791;4233	RET tyrosine kinase inhibitor; VEGFR inhibitor	RTK signaling
AM-580	CTRP.15	BRD-K06854232	CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O	RARA	5914	retinoid receptor agonist	Retinoic acid receptor and retinoid X receptor modulator
AC55649	CTRP.13	BRD-K93176058	CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O	RARA;RARB	5914;5915	retinoid receptor agonist	Retinoic acid receptor and retinoid X receptor modulator
LE-135	CTRP.303	BRD-K06593056	CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C	RARB	5915	retinoid receptor agonist	Retinoic acid receptor and retinoid X receptor modulator
CD-437	CTRP.169	BRD-K28907958	OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2	RARG	5916	retinoid receptor agonist	Retinoic acid receptor and retinoid X receptor modulator
CD-1530	CTRP.168	BRD-K25737009	OC(=O)c1ccc(cc1)-c1ccc2cc(c(O)cc2c1)C12CC3CC(CC(C3)C1)C2	RARG	5916	retinoid receptor agonist	Retinoic acid receptor and retinoid X receptor modulator
BEXAROTENE	CTRP.153;GDSC.186	BRD-K92441787	Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C	RXRA;RXRB;RXRG	6256;6257;6258	retinoid receptor agonist	Retinoic acid receptor and retinoid X receptor modulator
TRETINOIN	GDSC.1009	BRD-K71879491	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	ALDH1A1;ALDH1A2;GPRC5A;NR0B1;NR2C2;PPARD;RARA;RARB;RARG;RARRES1;RORB;RORC;RXRB;RXRG	216;8854;9052;190;7182;5467;5914;5915;5916;5918;6096;6097;6257;6258	retinoid receptor agonist; retinoid receptor ligand	Retinoic acid receptor and retinoid X receptor modulator
CH-55	CTRP.191	BRD-K71487808	CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(cc1)C(O)=O	RARA;RARB	5914;5915	retinoid receptor binder	Retinoic acid receptor and retinoid X receptor modulator
GSK429286A	GDSC.230	BRD-A10523515	CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F	ROCK1	6093	rho associated kinase inhibitor	Cytoskeleton
Y-39983	GDSC.309	BRD-K56751279	C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12	ROCK1;ROCK2	6093;9475	rho associated kinase inhibitor	Cytoskeleton
GSK269962A	GDSC.127;GDSC.1192		CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6	ROCK1;ROCK2	6093;9475	rho associated kinase inhibitor	Cytoskeleton
GEMCITABINE	CTRP.259;GDSC.135;gCSI.8	BRD-K15108141	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1	CMPK1;RRM1;RRM2;TYMS	51727;6240;6241;7298	ribonucleotide reductase inhibitor	DNA replication
CYTARABINE	CTRP.207	BRD-K33106058	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	POLA1;POLB;POLD1;POLE	5422;5423;5424;5426	ribonucleotide reductase inhibitor	DNA replication
CYTARABINE	GDSC.1006	BRD-K71847383	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl	POLA1;POLB;POLD1;POLE	5422;5423;5424;5426	ribonucleotide reductase inhibitor	DNA replication
CLOFARABINE	CTRP.196	BRD-K34022604	Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F	POLA1;POLD1;POLE;RRM1;RRM2;RRM2B	5422;5424;5426;6240;6241;50484	ribonucleotide reductase inhibitor	DNA replication
BI-D1870	gCSI.1	BRD-A81370665	CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C	RPS6KA1;RPS6KA2;RPS6KA3;RPS6KA6	6195;6196;6197;27330	ribosomal protein inhibitor	Other
PF-4708671	GDSC.1129	BRD-K14711741	CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F	RPS6KB1	6198	ribosomal protein inhibitor	Other
NECROSTATIN-1	CTRP.371	BRD-A36318220	CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O	RIPK1	8737	RIPK inhibitor	Apoptosis regulation; Necroptosis inhibition
XMD13-2	GDSC.330		C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC(=CC=C4)C(=O)NC5CC5	RIPK1	8737	RIPK inhibitor	Apoptosis regulation; Necroptosis inhibition
TRIPTOLIDE	CTRP.519	BRD-A13122391	CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3CC3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O	RELA	5970	RNA polymerase inhibitor	Other
CX-5461	GDSC.300	BRD-K12787259				RNA polymerase inhibitor	Other
ML162	CTRP.324	BRD-A36275421	COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl			selectively kills engineered cells expressing mutant HRAS	Other
ML210	CTRP.326	BRD-K01877528	Cc1onc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1[N+]([O-])=O			selectively kills engineered cells expressing mutant HRAS	Other
BRD8899	CTRP.140	BRD-K22828899	CC(=O)NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1cccc2cncc(C)c12			serine/threonine kinase inhibitor	ERK MAPK signaling
GSK650394	GDSC.177	BRD-K14991967	C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=NC=C(C=C34)C5=CC=CC=C5)C(=O)O	SGK1;SGK2	6446;10110	serum/glucocorticoid regulated kinase inhibitor	Other
NSC-87877	GDSC.147		C1=CC2=C(C(=O)C(=NNC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C=C2S(=O)(=O)O)N=C1	PTPN6;PTPN11	5777;5781	"SHP-1 (PTPN6), SHP-2 (PTPN11)"	Other
SR-II-138A	CTRP.458	BRD-K11172604	CON(C)C(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC	EIF4A2;EIF4E;EIF4G1	1974;1977;1981	silvestrol analog; inhibits translation by modulating the eIF4F complex	Protein synthesis
CR-1-31B	CTRP.182	BRD-K23547378	CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC	EIF4A2;EIF4E;EIF4G1	1974;1977;1981	silvestrol analog; inhibits translation by modulating the eIF4F complex	Protein synthesis
SRT-1720	CTRP.461	BRD-K53855319	O=C(Nc1cc(CN2CCNCC2)cc(c1)-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1	SIRT1	23411	SIRT activator	Chromatin histone acetylation
EX-527	CTRP.225;GDSC.341	BRD-K76964878	NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21	SIRT1	23411	SIRT inhibitor	Chromatin histone acetylation
AGK-2	CTRP.14	BRD-K32536677	Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1	SIRT2	22933	SIRT inhibitor	Chromatin histone acetylation
AT-406	CTRP.16	BRD-K02834582	CNC(C)C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C	XIAP	331	SMAC mimetic; inhibitor of inhibitor of apoptosis proteins (IAPs)	Apoptosis regulation
PURMORPHAMINE	CTRP.428	BRD-K73397362	C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12	SMO	6608	smoothened receptor agonist	Hedgehog signaling
ERISMODEGIB	CTRP.229	BRD-K19796430	C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1	SMO	6608	smoothened receptor antagonist	Hedgehog signaling
CYCLOPAMINE	GDSC.17	BRD-K58938839;BRD-A02333338	CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1	SMO;DHH;IHH;PTCH1	6608;50846;3549;5727	smoothened receptor antagonist; hedgehog pathway inhibitor	Hedgehog signaling
PHLORETIN	CTRP.417	BRD-K15563106	Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1	AQP9;CLCN3;SLC23A1	366;1182;9963	sodium/glucose cotransporter inhibitor	Other
MYRIOCIN	CTRP.348	BRD-A76279427	CCCCCCC(=O)CCCCCC\C=C\C[C@H](O)[C@@H](O)C(N)(CO)C(O)=O	AKT1;SPTLC1;SPTLC2;SPTLC3	207;10558;9517;55304	sphingolipid biosynthesis inhibitor	Metabolism
SKI-II	CTRP.452	BRD-K20755323	Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1	SPHK1	8877	sphingosine kinase inhibitor	"Other, kinases"
PF-543	CTRP.396	BRD-K79877282	Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1	SPHK1	8877	sphingosine kinase inhibitor	"Other, kinases"
AZD0530	CTRP.23;GDSC.38;CCLE.7	BRD-K19540840	CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1	ABL1;LCK;SRC;YES1	25;3932;6714;7525	src inhibitor	ABL and/or SRC signaling
WH-4-023	GDSC.56	BRD-K50199947	CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C	LCK;SRC	3932;6714	src inhibitor	ABL and/or SRC signaling
WZ3105	GDSC.252		CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C=C)NC4CCC(CC4)N(C)C	SRC;ROCK2;NTRK2;FLT3;IRAK1	6714;9475;4915;2322;3654	src inhibitor	ABL and/or SRC signaling
KX2-391	CTRP.299	BRD-K29968218	O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1	SRC	6714	src inhibitor; tubulin polymerization inhibitor	ABL and/or SRC signaling
YL54	CTRP.541	BRD-K58306044	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O			stapled helical peptide	Other
BRD-K20514654	CTRP.77	BRD-K20514654	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O			stapled helical peptide	Other
BRD-K99584050	CTRP.134	BRD-K99584050	CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O			stapled helical peptide	Other
BRD-K03911514	CTRP.64	BRD-K03911514	CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O			stapled helical peptide	Other
BRD-K16130065	CTRP.73	BRD-K16130065	CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O			stapled helical peptide	Other
BRD-K58730230	CTRP.110	BRD-K58730230	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O			stapled helical peptide	Other
BRD-K27188169	CTRP.80	BRD-K27188169	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O			stapled helical peptide	Other
BRD-K13185470	CTRP.70	BRD-K13185470	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	MCL1	4170	stapled helical peptide targeting MCL1	Apoptosis regulation
BRD-K55473186	CTRP.109	BRD-K57252013	CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)CCNC(=O)C)C(=O)NC1(C)CCCC=CCCCC(C)(NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CC(C)C)NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc3c[nH]cn3)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N	NOTCH1	4851	stapled helical peptide targeting NOTCH1	Other
NSC-74859	CTRP.351	BRD-K40853697	Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1	STAT3	6774	STAT inhibitor	Apoptosis regulation; Cell cycle
YM-155	CTRP.542;GDSC.268	BRD-K76703230	COCCn1c2c(C(=O)c3ccccc3C2=O)[n+](Cc2cnccn2)c1C	BIRC5	332	survivin inhibitor	Apoptosis regulation
TAMATINIB	CTRP.500	BRD-K20285085	COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC	RET;SYK	5979;6850	SYK inhibitor	"Other, kinases"
BAY-61-3606	GDSC.178	BRD-K53281329		SYK	6850	SYK inhibitor	"Other, kinases"
1S-3R-RSL-3	CTRP.3	BRD-K23853216	COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c1ccc(cc1)C(=O)OC	GPX4	2879	synthetic lethal with HRAS in engineered cells; inhibitor of GPX4	Other
SR1001	CTRP.459	BRD-K47981327	CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F	RORA;RORC	6095;6097	synthetic ROR ligand; suppressor of TH17 differentiation	Hormone-related
XAV939	GDSC.1268	BRD-K12762134	C1CSCC2=C1NC(=NC2=O)C3=CC=C(C=C3)C(F)(F)F	TNKS;TNKS2	8658;80351	tankyrase inhibitor	WNT signaling
JW-55	CTRP.289	BRD-K53328210	COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCOCC1	TNKS;TNKS2	8658;80351	tankyrase inhibitor	WNT signaling; Telomere modulator
MST-312	CTRP.337	BRD-K19894101	Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O	TERT	7015	telomerase inhibitor	Telomere modulator
BIBR-1532	CTRP.44	BRD-K04623885	C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1	TERT	7015	telomerase inhibitor	Telomere modulator
SB-431542	CTRP.444	BRD-K67298865	NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCOc2c1	ACVR1C;TGFBR1	130399;7046	TGF beta receptor inhibitor	RTK signaling
SB-525334	CTRP.445;GDSC.304	BRD-K37720887	Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C	TGFBR1	7046	TGF beta receptor inhibitor	RTK signaling
LY-2157299	CTRP.305	BRD-K78118466	Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O	TGFBR1	7046	TGF beta receptor inhibitor	RTK signaling
PX-12	CTRP.407	BRD-A56592690	CCC(C)SSc1ncc[nH]1	TXN;TXNRD1	7295;7296	thioredoxin inhibitor	Other
PRIMA-1-MET	CTRP.405	BRD-K49456190	COC[C@]1(CO)[N@@]2CC[C@@H](CC2)C1=O	TP53	7157	thioredoxin inhibitor; TP53 activator	p53 pathway
VORAPAXAR	CTRP.531	BRD-K93442924	CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1	F2R	2149	thrombin receptor antagonist	Other
5-FU	CTRP.5;GDSC.179	BRD-K24844714	Fc1c[nH]c(=O)[nH]c1=O	DPYD;TYMS	1806;7298	thymidylate synthase inhibitor	DNA replication
SN-38	CTRP.454;GDSC.1494	BRD-A36630025	CCc1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2ccc(O)cc12	TOP1	7150	topoisomerase inhibitor	DNA replication
CAMPTOTHECIN	GDSC.1003	BRD-K37890730	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	TOP1	7150	topoisomerase inhibitor	DNA replication
TOPOTECAN	CTRP.513;CCLE.14	BRD-K55696337	CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O	TOP1;TOP1MT	7150;116447	topoisomerase inhibitor	DNA replication
IRINOTECAN	CCLE.13;gCSI.9	BRD-K08547377	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7	TOP1;TOP1MT	7150;116447	topoisomerase inhibitor	DNA replication
DOXORUBICIN	CTRP.221;GDSC.133;gCSI.5	BRD-K92093830	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	TOP2A	7153	topoisomerase inhibitor	DNA replication
ETOPOSIDE	CTRP.233;GDSC.134	BRD-K37798499	COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12	TOP2A;TOP2B	7153;7155	topoisomerase inhibitor	DNA replication
TENIPOSIDE	CTRP.507	BRD-A35588707	COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)C(O[C@@H]2O[C@@H]3CO[C@H](OC3[C@H](O)[C@H]2O)c2cccs2)c2cc3OCOc3cc12	TOP2A;TOP2B	7153;7155	topoisomerase inhibitor	DNA replication
PIFITHRIN-ALPHA	CTRP.418	BRD-K66874953	Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N	TP53	7157	TP53 inhibitor	p53 pathway
PRIMA-1	CTRP.425	BRD-K15318909	OCC1(CO)N2CCC(CC2)C1=O	TP53	7157	TP53 reactivator	p53 pathway
RTRAIL	GDSC.1261			TNFRSF10A;TNFRSF10B	8797;8795	TRAIL receptor agonist	Apoptosis regulation
HC-067047	CTRP.262	BRD-K03391209	Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F	TRPV4	59341	transient receptor potential channel antagonist	Other
PACLITAXEL	CTRP.410;GDSC.11;CCLE.18;gCSI.13	BRD-A28746609	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	BCL2;MAP2;MAP4;MAPT;NR1I2;TLR4;TUBB;TUBB1	596;4133;4134;4137;8856;7099;203068;81027	tubulin polymerization inhibitor	Mitosis
DOCETAXEL	CTRP.219;GDSC.1007;gCSI.4	BRD-A05821830	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)C2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C	BCL2;MAP2;MAP4;MAPT;NR1I2;TUBB;TUBB1	596;4133;4134;4137;8856;203068;81027	tubulin polymerization inhibitor	Mitosis
VINORELBINE	GDSC.140	BRD-K04269837;BRD-K69280563	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O	TUBA1A;TUBA1B;TUBA1C;TUBA3C;TUBA3D;TUBA3E;TUBA4A;TUBB;TUBB1;TUBB2A;TUBB2B;TUBB3;TUBB4A;TUBB4B;TUBB6;TUBB8	7846;10376;84790;7278;113457;112714;7277;203068;81027;7280;347733;10381;10382;10383;84617;347688	tubulin polymerization inhibitor	Mitosis
VINCRISTINE	CTRP.530	BRD-K82109576	CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC	TUBA4A;TUBB	7277;203068	tubulin polymerization inhibitor	Mitosis
PARBENDAZOLE	CTRP.414	BRD-K02407574	CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1	TUBB	203068	tubulin polymerization inhibitor	Mitosis
THALIDOMIDE	CTRP.508	BRD-A93255169	O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12	CRBN;FGFR2;NFKB1;ORM1;ORM2;PTGS2;TNF	51185;2263;4790;5004;5005;5743;7124	tumor necrosis factor production inhibitor	Protein stability and degradation
TIVANTINIB	CTRP.511	BRD-K33379087	O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23	MET	4233	tyrosine kinase inhibitor	RTK signaling; Mitosis
PYR-41	CTRP.408	BRD-K60750172	CCOC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)[N+]([O-])=O)C1=O			ubiquitin activating enzyme inhibitor	Protein stability and degradation
IU1	CTRP.270	BRD-K45841694	Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1	USP14	9097	ubiquitin C-terminal hydrolase inhibitor	Protein stability and degradation
NSC632839	CTRP.356	BRD-K37392901	Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1	SENP2;USP1;USP2;USP7	59343;7398;9099;7874	ubiquitin specific protease inhibitor	Protein stability and degradation
MGCD-265	CTRP.314	BRD-K56277358	Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1	AXL;MET	558;4233	VEGFR inhibitor	RTK signaling
TIVOZANIB	CTRP.512;GDSC.312	BRD-K53414658	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC	FLT1;FLT4;KDR;KIT;PDGFRA;PDGFRB	2321;2324;3791;3815;5156;5159	VEGFR inhibitor	RTK signaling
FORETINIB	CTRP.241;GDSC.308	BRD-K03449891	COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1	FLT1;FLT4;KDR;MET	2321;2324;3791;4233	VEGFR inhibitor	RTK signaling
TKI258	CCLE.23		CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3	FLT1;KDR;FLT3;FLT4;FGFR1;FGFR3;KIT	2321;3791;2322;2324;2260;2261;3815	VEGFR inhibitor	RTK signaling
MK-1775	CTRP.318	BRD-K54256913	CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1	WEE1	7465	WEE1 kinase inhibitor	Cell cycle
WEE1 INHIBITOR	GDSC.1046			WEE1;CHEK1	7465;1111	WEE1 kinase inhibitor	Cell cycle
JW-74	CTRP.290	BRD-K75664313	COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1	TNKS;TNKS2	8658;80351	WNT signaling inhibitor; tankyrase inhibitor	WNT signaling
BIRINAPANT	CTRP.154	BRD-K18589165	CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1cc2c(C[C@@H]3C[C@H](O)CN3C(=O)[C@H](CC)NC(=O)[C@H](C)NC)cc(F)cc2[nH]1	BIRC2;XIAP	329;331	XIAP inhibitor	Apoptosis regulation
BRD-K66453893	CTRP.114	BRD-K66453893	C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O				Other
BRD-K27224038	CTRP.82	BRD-K27224038	C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc2ncc(cc2C1=O)C#CC1(O)CCCC1				Other
BRD-K14844214	CTRP.72	BRD-K14844214	CC(C)CC#Cc1ccc2c(O[C@@H](CN(C)C(=O)c3cnccn3)[C@H](C)CN([C@H](C)CO)S2(=O)=O)c1				Other
BRD-K41597374	CTRP.97	BRD-K41597374	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(ccc2S1(=O)=O)C#CC1CCCC1				Other
BRD-K13999467	CTRP.71	BRD-K13999467	C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccccc1F				Other
BRD-K96970199	CTRP.131	BRD-K96970199	C\C=C\c1ccc2c(O[C@@H](CN(C)C(=O)c3ccccc3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O)c1				Other
BRD-K49290616	CTRP.103	BRD-K49290616	OC[C@@H]1O[C@@H](CC(=O)NCc2ccncn2)CC[C@H]1NC(=O)c1ccc(F)cc1				Other
BRD-K02492147	CTRP.62	BRD-K02492147	CN1CCN(CC1)C(=O)C[C@@H]1O[C@H](CO)[C@@H](NS(=O)(=O)c2cccc(F)c2)C=C1				Other
BRD-K09587429	CTRP.68	BRD-K09587429	C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1				Other
BRD-K96431673	CTRP.130	BRD-K96431673	CN1CCN(CC1)C(=O)C[C@H]1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@@H](CO)O1				Other
BRD-K86535717	CTRP.125	BRD-K86535717	CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2)OC				Other
BRD-K48334597	CTRP.101	BRD-K48334597	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O				Other
BRD-K04800985	CTRP.65	BRD-K04800985	C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O				Other
BRD-K78574327	CTRP.120	BRD-K78574327	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O				Other
BRD-K19103580	CTRP.76	BRD-K19103580	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(cc2C1=O)N(C)C				Other
BRD-K30019337	CTRP.87	BRD-K30019337	CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(cc2C(=O)N(C[C@H]1C)[C@H](C)CO)N(C)C				Other
BRD-K84807411	CTRP.123	BRD-K84807411	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O				Other
BRD-K44224150	CTRP.99	BRD-K44224150	CNC[C@@H]1Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO				Other
BRD-K75293299	CTRP.119	BRD-K75293299	C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccncc3)cccc2C1=O				Other
BRD-K02251932	CTRP.61	BRD-K02251932	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O				Other
BRD-K41334119	CTRP.96	BRD-K41334119	CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO				Other
BRD-K34485477	CTRP.93	BRD-K34485477	CNC[C@@H]1Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO				Other
BRD-K16147474	CTRP.74	BRD-K16147474	CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)C(=O)Cc2c1				Other
BRD-K29086754	CTRP.85	BRD-K29086754	C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(O)=O)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O				Other
BRD-K33199242	CTRP.89	BRD-K33199242	CNC[C@@H]1Oc2ccc(cc2CC(=O)N(C[C@@H]1C)[C@@H](C)CO)N(C)C				Other
BRD-K52037352	CTRP.107	BRD-K52037352	C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O				Other
BRD-K37390332	CTRP.95	BRD-K37390332	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O				Other
BRD-K50799972	CTRP.104	BRD-K50799972	COc1ccccc1-c1cccc(c1)-c1nc(cc2CN([C@@H](CCO)c12)[S@@](=O)C(C)(C)C)C(=O)NCc1ccncc1				Other
BRD-K17060750	CTRP.75	BRD-K17060750	CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO				Other
BRD-K45681478	CTRP.100	BRD-K45681478	ClC1=C(NCC=C)C(=O)c2ccccc2C1=O				Other
BRD-K63431240;BRD-K33514849	CTRP.112;CTRP.90	BRD-K63431240;BRD-K33514849	C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccncc1				Other
BRD-K27986637	CTRP.83	BRD-K27986637	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3OCCOc3c2)OCc2cn(CCCC1=O)nn2				Other
CIL55	CTRP.177	BRD-K46556387	CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1				Other
BRD4132	CTRP.138	BRD-K86574132	CC(C)N1C(=O)S\C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O				Other
BRD6340	CTRP.139	BRD-K35716340	C(Cn1c2ccccc2c2ccccc12)c1nc2ccccc2[nH]1				Other
BRD9647	CTRP.142	BRD-K05649647	COc1ccc(cc1)N(C(=O)c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC				Other
COMPOUND 1B	CTRP.198	BRD-A42556028	CCN(CC)c1ccc(cc1[N+]([O-])=O)C1=NNC(=O)CC1C				Other
CIL56	CTRP.179	BRD-K11740178	ON=C1c2cc(ccc2-c2ccc(cc12)S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1				Other
BRD-K92856060	CTRP.128	BRD-K92856060	COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C(C)=O)c1ccc(OC(C)=O)c2ccccc12				Other
CIL41	CTRP.176	BRD-K05392795	N=C(NOC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1				Other
CIL70	CTRP.180	BRD-K20215950	Clc1ccc(CC(=N)NOC(=O)c2cccc3ccccc23)cc1				Other
BRD-K90370028	CTRP.127	BRD-K90370028	CC(=O)N[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1				Other
BRD1812	CTRP.136	BRD-K73261812	Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc2ccccc2)cc1				Other
BRD-K71781559	CTRP.117	BRD-K71781559	OC(=O)c1ccc(NCc2nc3cc4ccccc4cc3[nH]2)cc1				Other
BRD-K01737880	CTRP.60	BRD-K01737880	COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4ccc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1				Other
BRD-K09344309	CTRP.67	BRD-K09344309	C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3OCOc3c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O				Other
ELCPK	CTRP.223	BRD-K44847641	O=S(=O)(N1CCCc2ccccc12)c1ccc(cc1)-c1cnc(o1)C1CC1				Other
CIL55A	CTRP.178	BRD-K69982010	CN(C)CCNC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1				Other
BRD-K48477130	CTRP.102	BRD-K48477130	Cc1n[nH]c2NC3=C([C@@H](c12)c1ccccc1)C(=O)CC(C)(C)C3				Other
BRD-K34099515	CTRP.91	BRD-K34099515	CC(C)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O				Other
BRD-K99006945	CTRP.133	BRD-K99006945	CCN(CC)c1ccc(cc1)C1=NNC(=O)C[C@H]1C				Other
BRD-A86708339	CTRP.58	BRD-A86708339	Cc1ccc(cc1)C(NC(=O)c1ccccc1)c1ccc2cccnc2c1O				Other