TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T61746	Cathepsin B	B01NYT	9-(3-Hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-indol-2-yl)benzylamino)-9H-purine-2-carbonitrile	Investigative	44481508	C30H25N7O3S	563.6	C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C4=CC=CC(=C4)CNC5=C6C(=NC(=N5)C#N)N(C=N6)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B0AL7B	(2S)-N-[(2S)-1-Amino-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide	Investigative	16661682	C30H34F3N3O4S	589.7	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B0B8FV	(4As,10S,10aR)-4a-methyl-8-pyrimidin-5-ylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine	Investigative	118722352	C19H20N4O2S	368.5	C[C@]12CCCO[C@@H]1[C@]3(CSC(=N3)N)C4=C(O2)C=CC(=C4)C5=CN=CN=C5	IC50 = 64000 nM	Poor binder
T61746	Cathepsin B	B0BL5R	Chembl4227750	Investigative	145969091	C12H8N4O4	272.22	C1=CC(=NC2=C(C=CC(=C21)[N+](=O)[O-])O)C(=O)NCC#N	Ki = 116000 nM	Poor binder
T61746	Cathepsin B	B0CK1E	(1R,2S)-2-[(8-Hydroxy-5-nitroquinolin-7-yl)methylamino]cyclohexane-1-carboxylic acid	Investigative	71520445	C17H19N3O5	345.3	C1CC[C@@H]([C@@H](C1)C(=O)O)NCC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 125000 nM	Poor binder
T61746	Cathepsin B	B0E6ZK	(E)-3-(3-Bromo-4-methoxyphenyl)-1-(furan-2-yl)prop-2-en-1-one	Investigative	71624732	C14H11BrO3	307.14	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CO2)Br	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B0EV4J	2-Oxo-4-phenacylsulfanyl-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide	Investigative	482288	C20H20N2O3S	368.5	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC(=O)C3=CC=CC=C3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	B0LA8M	(2S)-2-[[2-(3,5-Dichlorophenyl)acetyl]amino]-3,3-dimethyl-N-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]butanamide	Investigative	118720237	C20H27Cl2N3O5S	492.4	CC(C)(C)[C@@H](C(=O)NCC(=O)NC/C=C/S(=O)(=O)C)NC(=O)CC1=CC(=CC(=C1)Cl)Cl	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B0QM8N	(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-tert-butylphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide	Investigative	127037715	C25H30N4O4S	482.6	CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C#N	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B0RYX5	(2S,3S)-2-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644784	C39H60N10O14	893	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]2[C@H](O2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	B0SMP7	Benzyl N-[(2S,3S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]carbamate	Investigative	11580329	C16H21N3O3	303.36	CC[C@H](C)[C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki = 70000 nM	Poor binder
T61746	Cathepsin B	B0Z8AI	N-((1S)-2-Hydroxy-1-phenylethyl)[2-oxo-4-(2-pyridylmethylthio)azetidinyl]carboxamide	Investigative	482292	C18H19N3O3S	357.4	C1C(N(C1=O)C(=O)N[C@H](CO)C2=CC=CC=C2)SCC3=CC=CC=N3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	B17KRP	Chembl4225182	Investigative	125503087	C10H6N2O5	234.16	C1=CC(=NC2=C(C=CC(=C21)[N+](=O)[O-])O)C(=O)O	Ki = 139000 nM	Poor binder
T61746	Cathepsin B	B1AIG7	4-(Benzylthio)-6-((cyanomethyl)thio)-1,3,5-triazin-2(1H)-one	Investigative	54769412	C12H10N4OS2	290.4	C1=CC=C(C=C1)CSC2=NC(=O)NC(=N2)SCC#N	Ki = 51600 nM	Poor binder
T61746	Cathepsin B	B1DKX4	Tert-butyl N-[(2S)-1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamate	Investigative	44412339	C19H25N3O5	375.4	CCC[C@@H](C(=O)C1=NN=C(O1)C2=CC=CC=C2OC)NC(=O)OC(C)(C)C	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	B1GPT5	Tert-butyl N-[(2S)-1-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamate	Investigative	44412502	C20H28N4O4	388.5	CCC[C@@H](C(=O)C1=NN=C(O1)C2=CC=C(C=C2)N(C)C)NC(=O)OC(C)(C)C	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	B1JTN5	(1R,2R)-N-[(1S)-1-Cyanoethyl]-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide	Investigative	60195905	C22H25FN4O2	396.5	C[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)F	IC50 = 73500 nM	Poor binder
T61746	Cathepsin B	B1QCS4	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate	Investigative	73356489	C25H31N5O4	465.5	C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 100000 nM	Poor binder
T61746	Cathepsin B	B1R6WQ	4-(Benzylthio)-6-(ethylthio)-1,3,5-triazin-2(1H)-one	Investigative	54769409	C12H13N3OS2	279.4	CCSC1=NC(=NC(=O)N1)SCC2=CC=CC=C2	Ki = 97100 nM	Poor binder
T61746	Cathepsin B	B1VS6R	[(S)-2-Phenyl-1-((2S,7R)-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-7-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester	Investigative	44342744	C23H25N3O6S	471.5	C1CN2[C@H]([C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)S(=O)(=O)C1	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B20ZUP	5-((2,3-Dimethylphenoxy)methyl)-3-methyloxazolidin-2-one	Investigative	44426056	C13H17NO3	235.28	CC1=C(C(=CC=C1)OCC2CN(C(=O)O2)C)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B25YHQ	Benzyl N-[(2S,3R)-4-[acetyl(benzyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate	Investigative	44464160	C27H30N2O4	446.5	CC(=O)N(CC1=CC=CC=C1)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B27GLX	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide	Investigative	71612901	C28H32N4O3	472.6	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3	Ki = 84000 nM	Poor binder
T61746	Cathepsin B	B29TFB	2-Methyl-5-nitroquinoline-8-ol	Investigative	12737307	C10H8N2O3	204.18	CC1=NC2=C(C=CC(=C2C=C1)[N+](=O)[O-])O	Ki = 77000 nM	Poor binder
T61746	Cathepsin B	B2FT7U	Chembl4245255	Investigative	145984777	C14H13N7O3	327.3	C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])C#N	IC50 = 60000 nM	Poor binder
T61746	Cathepsin B	B2G0DM	2-(2-Ethylphenylsulfonyl)oxirane	Investigative	71659902	C10H12O3S	212.27	CCC1=CC=CC=C1S(=O)(=O)C2CO2	Ki = 86000 nM	Poor binder
T61746	Cathepsin B	B2L4MF	(2R)-2-Amino-N-[2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-phenylacetamide;hydrochloride	Investigative	90665921	C27H22ClN3O2S2	520.1	C1=CC=C(C=C1)[C@H](C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC5=CC=CC=C5C=C4)N.Cl	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B2VAN9	(3R,4R)-4-(2,3-Dimethylphenoxy)piperidin-3-ol	Investigative	13186896	C13H19NO2	221.29	CC1=C(C(=CC=C1)O[C@@H]2CCNC[C@H]2O)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B2XQT9	5-Nitro-8-(4-methylpiperidino)quinoline	Investigative	71717313	C15H17N3O2	271.31	CC1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 105000 nM	Poor binder
T61746	Cathepsin B	B30API	(2S)-N-[(1S)-3-Methyl-1-({4-oxo-1-[N-benzylcarbamoyl]azetidin-2-yloxy}methyl)butyl]-2-[(tert-butoxy)carbonylamino]-3,3-dimethylbutanamide	Investigative	482277	C28H44N4O6	532.7	CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	B36BJL	(4As,10S,10aR)-8-(5-chloropyridin-3-yl)-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine	Investigative	118722349	C20H20ClN3O2S	401.9	C[C@]12CCCO[C@@H]1[C@]3(CSC(=N3)N)C4=C(O2)C=CC(=C4)C5=CC(=CN=C5)Cl	IC50 = 58000 nM	Poor binder
T61746	Cathepsin B	B3CSV0	(2E)-1-(4-Aminophenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one	Investigative	25219913	C16H15NO3	269.29	COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)N	IC50 = 76470 nM	Poor binder
T61746	Cathepsin B	B3HP2N	Chembl4226425	Investigative	145969938	C16H17N3O4	315.32	CC1CCN(CC1)C(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 94000 nM	Poor binder
T61746	Cathepsin B	B3HZT5	Ethyl 4-[(8-hydroxy-5-nitroquinolin-7-yl)methyl]piperazine-1-carboxylate	Investigative	71520326	C17H20N4O5	360.4	CCOC(=O)N1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 87000 nM	Poor binder
T61746	Cathepsin B	B3N9QG	4-Fluoro-2',4'-dihydroxychalcone	Investigative	19540655	C15H11FO3	258.24	C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)F	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B3P7QT	5-Chloro-2-[5-[(Z)-(3,8-dioxo-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-4-ylidene)methyl]furan-2-yl]benzoic acid	Investigative	5876194	C24H15ClN2O5S2	511	C1CCC2=C(C1)C3=C(S2)N4C(=O)/C(=C/C5=CC=C(O5)C6=C(C=C(C=C6)Cl)C(=O)O)/SC4=NC3=O	IC50 = 59400 nM	Poor binder
T61746	Cathepsin B	B3QEM6	Chembl4228186	Investigative	145969337	C19H14N4O4	362.3	C1=CC=C(C=C1)CN(CC#N)C(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 64000 nM	Poor binder
T61746	Cathepsin B	B3TC8L	(2R,3R)-2-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644794	C43H69N13O13	976.1	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]2[C@@H](O2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	B3XMD0	7-[(Benzylamino)methyl]-5-nitroquinolin-8-ol	Investigative	71520320	C17H15N3O3	309.32	C1=CC=C(C=C1)CNCC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 58000 nM	Poor binder
T61746	Cathepsin B	B42EWF	N,N-Diethyl-1-(5-nitroquinoline-8-yl)piperidine-3-carboxamide	Investigative	71720364	C19H24N4O3	356.4	CCN(CC)C(=O)C1CCCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 105000 nM	Poor binder
T61746	Cathepsin B	B42WXS	[(S)-1-((S)-3-Ethoxy-2-oxo-1-phenethyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester	Investigative	44329643	C27H36N2O5	468.6	CCOCC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	B46GYI	(2R)-N-(Cyanomethyl)-2-[3-[3-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazol-4-yl]phenyl]phenyl]-4-methylpentanamide	Investigative	44415006	C29H35N5OS	501.7	CC(C)C[C@H](C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N4CCC(C4)N(C)C)C(=O)NCC#N	Ki = 51000 nM	Poor binder
T61746	Cathepsin B	B48FLJ	[(S)-1-((S)-3-Benzyloxy-2-oxo-1-phenethyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester	Investigative	44329582	C32H38N2O5	530.7	CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)COCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	Ki = 119000 nM	Poor binder
T61746	Cathepsin B	B4AMW5	(2R)-N-(Cyanomethyl)-4-methyl-2-[3-[3-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]phenyl]pentanamide	Investigative	44414992	C28H33N5OS	487.7	CC(C)C[C@H](C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)CN4CCNCC4)C(=O)NCC#N	Ki = 51000 nM	Poor binder
T61746	Cathepsin B	B4C6EI	N-[1-[[(2S)-1-Oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide	Investigative	10144235	C28H29F3N4O5	558.5	CCC[C@@H](C(=O)C1=NN=C(O1)C2=CC=CC=C2)NC(=O)C3(CCCCC3)NC(=O)C4=CC=C(C=C4)OC(F)(F)F	Ki = 73000 nM	Poor binder
T61746	Cathepsin B	B4EP5G	2,2',4-Trihydroxybenzophenone	Investigative	578663	C13H10O4	230.22	C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)O)O)O	IC50 = 198000 nM	Poor binder
T61746	Cathepsin B	B4M8LQ	4-{5-[(Z)-(5-Cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl}benzenesulfonamide	Investigative	2264784	C18H13N3O5S	383.4	CC\\1=C(C(=O)NC(=O)/C1=C\\C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C#N	IC50 = 64800 nM	Poor binder
T61746	Cathepsin B	B4VL8N	3-[2-(3,5-Dichlorophenyl)-2-methylpropanoyl]-4-methoxy-N-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]benzamide	Investigative	118720236	C24H26Cl2N2O6S	541.4	CC(C)(C1=CC(=CC(=C1)Cl)Cl)C(=O)C2=C(C=CC(=C2)C(=O)NCC(=O)NC/C=C/S(=O)(=O)C)OC	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B4WR8U	N-Methyl-N-phenethyl-5-nitroquinoline-8-amine	Investigative	71716098	C18H17N3O2	307.3	CN(CCC1=CC=CC=C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 175000 nM	Poor binder
T61746	Cathepsin B	B4ZB6F	Benzyl N-[(2R)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]carbamate	Investigative	11551229	C16H21N3O3	303.36	CC(C)C[C@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	B52HVQ	N-[1-(Cyanomethylcarbamoyl)cyclohexyl]-4-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]benzamide	Investigative	11671560	C28H32F3N5O4S	591.6	C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC(F)(F)F	Ki = 56000 nM	Poor binder
T61746	Cathepsin B	B52NIG	2-[(3-Chlorophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide	Investigative	70681840	C16H19ClN2OS	322.9	C1CCC(C(C1)CSC2=CC(=CC=C2)Cl)C(=O)NCC#N	IC50 = 102000 nM	Poor binder
T61746	Cathepsin B	B53GOM	Benzyl N-[(2S)-4-methyl-1-[[4-[3-(4-methylpiperazin-1-yl)propylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate	Investigative	46930811	C32H45N5O5	579.7	CC(C)C[C@@H](C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)NCCCN2CCN(CC2)C)NC(=O)OCC3=CC=CC=C3	Ki = 111000 nM	Poor binder
T61746	Cathepsin B	B56ZXI	2-[4-[[(3S)-3-Cyano-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propoxy]methyl]triazol-1-yl]acetic acid	Investigative	127050163	C26H28N6O6	520.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCOCC2=CN(N=N2)CC(=O)O)C#N)NC(=O)OCC3=CC=CC=C3	Ki = 101000 nM	Poor binder
T61746	Cathepsin B	B59BKW	Diethylcyanamide	Investigative	12050	C5H10N2	98.15	CCN(CC)C#N	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B59RMS	6-[[3-(3,4-Dichlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile	Investigative	44481235	C22H18Cl2N6O	453.3	C1=CC(=CC(=C1)C2=CC(=C(C=C2)Cl)Cl)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B5B8RO	(2S,3S)-2-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644785	C43H69N13O13	976.1	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H](O2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 50000 nM	Poor binder
T61746	Cathepsin B	B5BT2L	5-Nitro-7-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]quinolin-8-ol	Investigative	71521816	C20H21N5O3	379.4	C1CN(CCN1CC2=CC=NC=C2)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-]	Ki = 94000 nM	Poor binder
T61746	Cathepsin B	B5EC2P	(2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-fluorophenyl)prop-2-EN-1-one	Investigative	8194707	C16H12BrFO2	335.17	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)F)Br	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B5I3YV	Chembl4228583	Investigative	145970471	C14H10N4O4	298.25	C1CC1(C#N)NC(=O)C2=NC3=C(C=CC(=C3C=C2)[N+](=O)[O-])O	Ki = 66000 nM	Poor binder
T61746	Cathepsin B	B5I6RB	(2R)-2-Amino-N-[(1S,2S)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide;2,2,2-trifluoroacetic acid	Investigative	49797572	C19H18F3N3O3S	425.4	C1[C@H]([C@@]1(C#N)NC(=O)[C@@H](CC2=CC=CS2)N)C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B5JV1W	4-(4-Nitronaphthalen-1-yl)morpholine	Investigative	69224014	C14H14N2O3	258.269	C1COCCN1C2=CC=C(C3=CC=CC=C32)[N+](=O)[O-]	Ki = 85000 nM	Poor binder
T61746	Cathepsin B	B5Q6ZX	Tert-butyl N-[(2S)-1-oxo-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate	Investigative	44412341	C16H21N3O4S	351.4	CCC[C@@H](C(=O)C1=NN=C(O1)C2=CC=CS2)NC(=O)OC(C)(C)C	Ki = 120000 nM	Poor binder
T61746	Cathepsin B	B5T0WC	N-[2-(Cyanomethylamino)-2-oxoethyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-[2-(dimethylamino)ethoxy]benzamide	Investigative	118720233	C25H28Cl2N4O4	519.4	CC(C)(C1=CC(=CC(=C1)Cl)Cl)C(=O)C2=C(C=CC(=C2)C(=O)NCC(=O)NCC#N)OCCN(C)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B5UCI7	CID 10302710	Investigative	10302710	C31H40N4O5	548.7	CCCC[C@@H](C(=O)C(=O)N[C@H](C)C1=CC=CC=C1)NC(=O)O[C@H](CC2=NN=C(O2)C3=CC=CC=C3)C(C)(C)CC	IC50 = 56000 nM	Poor binder
T61746	Cathepsin B	B5YS4X	N-[(2S)-1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]-2-phenylacetamide	Investigative	44412437	C19H19N3O4	353.4	CCC[C@@H](C(=O)C1=NN=C(O1)C2=CC=CO2)NC(=O)CC3=CC=CC=C3	Ki = 110000 nM	Poor binder
T61746	Cathepsin B	B63PHI	Chembl4227676	Investigative	145969757	C11H9N3O4	247.21	C1CC1(C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O	Ki = 128000 nM	Poor binder
T61746	Cathepsin B	B69MIW	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,3,4,5,6-pentafluorobenzamide	Investigative	71613099	C22H23F5N4O3	486.4	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F	Ki = 134000 nM	Poor binder
T61746	Cathepsin B	B6BF1G	N-Benzyl-5-nitroquinolin-8-amine	Investigative	2843953	C16H13N3O2	279.29	C1=CC=C(C=C1)CNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 127000 nM	Poor binder
T61746	Cathepsin B	B6JPV8	N-((1R)-1-Phenylethyl)[2-oxo-4-(2-pyridylmethylthio)azetidinyl]carboxamide	Investigative	482287	C18H19N3O2S	341.4	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CC=CC=N3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	B6K9SO	Ac-hPhe-Leu-(D)-Ala-LeuVSMe	Investigative	11613973	C29H46N4O6S	578.8	C[C@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C	IC50 ~ 150000 nM	Poor binder
T61746	Cathepsin B	B6LQJ1	[(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester	Investigative	21309371	C16H19N3O5	333.34	C[C@@H](C(=O)N[C@H]1[C@@H]2N(C1=O)CCO2)NC(=O)OCC3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B6LV7Z	Cbz-Glu(OtBu)-Gly-LeuVSMe	Investigative	11570453	C27H41N3O8S	567.7	CC(C)C[C@@H](/C=C/S(=O)(=O)C)NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1	IC50 ~ 150000 nM	Poor binder
T61746	Cathepsin B	B6MN7T	2-Chloro-5-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoic acid	Investigative	44415189	C21H12Cl2N2O5	443.2	C1=CC(=CC=C1C2=CC=C(O2)/C=C\\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)Cl	IC50 = 88900 nM	Poor binder
T61746	Cathepsin B	B7HY5F	Benzyl N-[(2S)-1-(cyanomethylamino)-5,5,5-trifluoro-4-methyl-1-oxopentan-2-yl]carbamate	Investigative	44405279	C16H18F3N3O3	357.33	CC(C[C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1)C(F)(F)F	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	B7J4AB	8-Hydroxy-5-nitroquinoline-7-carboxylic acid	Investigative	71520446	C10H6N2O5	234.16	C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)O)[N+](=O)[O-]	Ki = 117000 nM	Poor binder
T61746	Cathepsin B	B7LM8U	(2S,3S)-2-N-[(2S)-1-[[(2S)-5-Amino-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644788	C40H63N11O15	938	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H](O2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	B7TE9N	Methyl 4-[3-[[[2-cyano-9-(3-hydroxypropyl)purin-6-yl]amino]methyl]phenyl]benzoate	Investigative	44481234	C24H22N6O3	442.5	COC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B7WH9Y	N-(Cyanomethyl)-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide	Investigative	11594784	C18H23N3O2	313.4	C1CCC(CC1)(C(=O)NCC#N)NC(=O)CCC2=CC=CC=C2	Ki = 99000 nM	Poor binder
T61746	Cathepsin B	B7WK2D	N-((1R)-1-Phenylpropyl)[2-oxo-4-(2-pyridylmethylthio)azetidinyl]carboxamide	Investigative	482290	C19H21N3O2S	355.5	CC[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CC=CC=N3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	B84UOX	N-[[1-(1,3-Benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide	Investigative	122182060	C27H29N5O5S	535.6	COCCN(CC1CCN(CC1)CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C5C=CC=NC5=C4O)[N+](=O)[O-]	Ki = 181000 nM	Poor binder
T61746	Cathepsin B	B86WDG	(2R,3R)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644796	C38H60N10O15	896.9	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]2[C@@H](O2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	B8DA5K	Chembl4226694	Investigative	145969728	C13H10N4O4	286.24	CN(CC#N)C(=O)C1=CC(=C2C=CC=NC2=C1O)[N+](=O)[O-]	Ki = 121000 nM	Poor binder
T61746	Cathepsin B	B8HAC3	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate	Investigative	73353408	C23H30N4O5	442.5	C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 135000 nM	Poor binder
T61746	Cathepsin B	B8I9UL	6-[[3-(4-Ethenylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile	Investigative	44481233	C24H22N6O	410.5	C=CC1=CC=C(C=C1)C2=CC=CC(=C2)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B8K5YT	Chembl4228452	Investigative	145968898	C16H13N3O4	311.29	C1=CC=C(C=C1)CN(CC#N)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O	Ki = 96000 nM	Poor binder
T61746	Cathepsin B	B8LP7J	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-[4-(4-phenylphenyl)phenyl]propan-2-yl]carbamate	Investigative	71612694	C35H38N4O4	578.7	C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 74000 nM	Poor binder
T61746	Cathepsin B	B8MW9J	7-[[(2R)-2-Methylpiperidin-1-yl]methyl]-5-nitroquinolin-8-ol	Investigative	71520325	C16H19N3O3	301.34	C[C@@H]1CCCCN1CC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 116000 nM	Poor binder
T61746	Cathepsin B	B8PY5V	(5Z)-5-[(2,4-Dihydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one	Investigative	7028541	C10H8N2O3S	236.25	C1=CC(=C(C=C1O)O)/C=C\\2/C(=O)NC(=S)N2	IC50 = 52300 nM	Poor binder
T61746	Cathepsin B	B8Y5NZ	Chembl4226671	Investigative	145968830	C10H4N4O5	260.16	C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)N=C1C#N	Ki = 192000 nM	Poor binder
T61746	Cathepsin B	B96MUL	(3S)-3-Acetamido-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(benzylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid	Investigative	73351555	C39H57N7O12	815.9	CCC[C@@H](C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C	IC50 = 100000 nM	Poor binder
T61746	Cathepsin B	B9BMZ0	(E)-3-(3-Bromo-4-methoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one	Investigative	8854795	C14H11BrO2S	323.21	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CS2)Br	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	B9LUT5	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide	Investigative	71613103	C21H33N5O3	403.5	C1CCNC(C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 51000 nM	Poor binder
T61746	Cathepsin B	B9MU1X	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyridine-2-carboxamide	Investigative	71613100	C21H27N5O3	397.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=CC=CC=N2	Ki = 80000 nM	Poor binder
T61746	Cathepsin B	B9N5SF	(2S)-N'-(2,2-Dimethylpropyl)-N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide	Investigative	10258908	C33H44N6O7S	668.8	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C2=NN=C(O2)C3=CC=CC=C3	Ki = 72000 nM	Poor binder
T61746	Cathepsin B	B9RI7L	(2S)-2-Amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide;2,2,2-trifluoroacetic acid	Investigative	49797573	C19H18F3N3O3S	425.4	C1[C@@H]([C@]1(C#N)NC(=O)[C@H](CC2=CC=CS2)N)C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	B9VE1N	Chembl4226557	Investigative	145967652	C13H10N4O4	286.24	CN(CC#N)C(=O)C1=NC2=C(C=CC(=C2C=C1)[N+](=O)[O-])O	Ki = 102000 nM	Poor binder
T61746	Cathepsin B	BA8E5I	Chembl4247075	Investigative	145985785	C32H36N2O6	544.6	CCOC(=O)/C=C/[C@@H]([C@H](CCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O	IC50 = 52600 nM	Poor binder
T61746	Cathepsin B	BAE10O	(2S)-2-(3,5-Dichlorophenyl)-N-[(3S)-1-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]butanamide	Investigative	118720239	C20H25Cl2N3O5S	490.4	CC[C@@H](C1=CC(=CC(=C1)Cl)Cl)C(=O)N[C@H]2CCN(C2=O)CC(=O)NC/C=C/S(=O)(=O)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BAU7L3	Chembl4227143	Investigative	145969522	C20H20N2O5	368.4	COCCCOC1=C(C=CC(=C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)OC	Ki = 118000 nM	Poor binder
T61746	Cathepsin B	BB3P4Z	4-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid	Investigative	668744	C13H13NO3	231.25	CC1=CC=C(N1C2=CC(=C(C=C2)C(=O)O)O)C	IC50 = 55000 nM	Poor binder
T61746	Cathepsin B	BB6P8L	4-Benzylsulfanyl-6-butylsulfanyl-1H-1,3,5-triazin-2-one	Investigative	54769411	C14H17N3OS2	307.4	CCCCSC1=NC(=NC(=O)N1)SCC2=CC=CC=C2	Ki = 70600 nM	Poor binder
T61746	Cathepsin B	BB6VF4	Chembl4225905	Investigative	145970355	C12H7N5O6	317.21	C1=CC(=NC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC#N	Ki = 160000 nM	Poor binder
T61746	Cathepsin B	BB7OU5	N-((1R)-1-Phenylethyl)(2-oxo-4-phenylthioazetidinyl)carboxamide	Investigative	482282	C18H18N2O2S	326.4	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SC3=CC=CC=C3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BBQ8S5	Benzyl N-[(2S)-1-(cyanomethylamino)-1-oxohexan-2-yl]carbamate	Investigative	11673881	C16H21N3O3	303.36	CCCC[C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BC09QN	Cbz-Ile-iPrGln-Ala-LeuVSMe	Investigative	11520360	C33H53N5O8S	679.9	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)NC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1	IC50 ~ 150000 nM	Poor binder
T61746	Cathepsin B	BC2HK1	Tert-butyl N-[(2S)-1-oxo-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate	Investigative	44412340	C15H25N3O4	311.38	CCC[C@@H](C(=O)C1=NN=C(O1)C(C)C)NC(=O)OC(C)(C)C	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BC58OQ	Chembl4228513	Investigative	145967735	C9H7N3O4	221.17	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCC#N)O	Ki = 168000 nM	Poor binder
T61746	Cathepsin B	BC9M0N	N-((1R)-1-Phenylethyl)[2-oxo-4-(3-pyridylmethylthio)azetidinyl]carboxamide	Investigative	482286	C18H19N3O2S	341.4	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CN=CC=C3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BCA0R2	N-Methyl-N-benzyl-5-nitroquinoline-8-amine	Investigative	31538102	C17H15N3O2	293.32	CN(CC1=CC=CC=C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 137000 nM	Poor binder
T61746	Cathepsin B	BCDU46	1-(5-Nitroquinoline-8-yl)piperidine-4-carboxylic acid ethyl ester	Investigative	31538150	C17H19N3O4	329.35	CCOC(=O)C1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 113000 nM	Poor binder
T61746	Cathepsin B	BCM12W	(2S,3S)-3-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644782	C38H60N10O15	896.9	C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 50000 nM	Poor binder
T61746	Cathepsin B	BCR80K	Benzyl (2S,3S)-1-((R)-3-(benzylsulfonyl)-1-((S)-1-((S,E)-5-methyl-1-(methylsulfonyl)hex-1-en-3-ylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-ylamino)-3-methyl-1-oxopentan-2-ylcarbamate	Investigative	11636269	C35H50N4O9S2	734.9	CC[C@H](C)[C@@H](C(=O)N[C@@H](CS(=O)(=O)CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2	IC50 ~ 150000 nM	Poor binder
T61746	Cathepsin B	BCZ82W	(2-Hydroxy-5-nitrophenyl)(morpholino)methanone	Investigative	12404626	C11H12N2O5	252.22	C1COCCN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O	Ki = 176000 nM	Poor binder
T61746	Cathepsin B	BD5JM1	Benzyl N-[(2S)-1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate	Investigative	11623853	C17H23N3O3	317.4	CC(C)(C)C[C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki = 63000 nM	Poor binder
T61746	Cathepsin B	BD81XG	(2S,3S)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644780	C40H62N10O14	907	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H](O2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 50000 nM	Poor binder
T61746	Cathepsin B	BDAT14	1-Butyl-4-(2-(4''-ethylbiphenyl-3-yl)ethyl)-6-ethynyl-1H-indene	Investigative	44480724	C23H22N6O2	414.5	COC1=CC=C(C=C1)C2=CC=CC(=C2)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BDC9Z8	2-((2S,3S)-2-Acetoxy-4-oxo-azetidin-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester	Investigative	44304591	C18H21N3O6	375.4	CC(=O)O[C@H]1[C@@H](C(=O)N1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3	Ki = 120000 nM	Poor binder
T61746	Cathepsin B	BDLJ41	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-[4-(4-methylphenyl)phenyl]-1-oxopropan-2-yl]carbamate	Investigative	71612693	C30H36N4O4	516.6	CC1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)OCC3=CC=CC=C3	Ki = 113000 nM	Poor binder
T61746	Cathepsin B	BDN1J4	7-[(Ethylamino)methyl]-5-nitroquinolin-8-ol	Investigative	71520321	C12H13N3O3	247.25	CCNCC1=CC(=C2C=CC=NC2=C1O)[N+](=O)[O-]	Ki = 82000 nM	Poor binder
T61746	Cathepsin B	BDS1J0	4-Nitro-1-naphthylamine	Investigative	13057	C10H8N2O2	188.18	C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N	Ki = 111000 nM	Poor binder
T61746	Cathepsin B	BDT40Z	3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethylamino)-propyl)-2-oxophenylbutanamide	Investigative	46930812	C29H40N4O5	524.7	CC(C)C[C@@H](C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)NCCCN(C)C)NC(=O)OCC2=CC=CC=C2	Ki = 75500 nM	Poor binder
T61746	Cathepsin B	BDW81X	[1-((3S,4S)-2-Oxo-4-phenoxy-azetidin-3-ylcarbamoyl)-cyclohexyl]-carbamic acid benzyl ester	Investigative	44304535	C24H27N3O5	437.5	C1CCC(CC1)(C(=O)N[C@H]2[C@@H](NC2=O)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4	Ki = 140000 nM	Poor binder
T61746	Cathepsin B	BE0PC8	Echinatin	Investigative	6442675	C16H14O4	270.28	COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O	IC50 = 57680 nM	Poor binder
T61746	Cathepsin B	BE34KD	Cbz-Ile-Gln-Ala-LeuVSMe	Investigative	11563622	C30H47N5O8S	637.8	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1	IC50 = 54000 nM	Poor binder
T61746	Cathepsin B	BE6I2L	Benzyl 1-((cyanomethyl)carbamoyl)cyclopropylcarbamate	Investigative	11680631	C14H15N3O3	273.29	C1CC1(C(=O)NCC#N)NC(=O)OCC2=CC=CC=C2	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BE6S4C	Tert-butyl 2-[4-[[4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidin-2-yl]sulfanylmethyl]phenyl]acetate	Investigative	482289	C25H30N2O4S	454.6	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CC=C(C=C3)CC(=O)OC(C)(C)C	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BE7IM4	8-(Morpholin-4-yl)-5-nitroquinoline	Investigative	2829612	C13H13N3O3	259.26	C1COCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 153000 nM	Poor binder
T61746	Cathepsin B	BEI6K1	9-(3-Hydroxypropyl)-6-(naphthalen-2-ylmethylamino)-9H-purine-2-carbonitrile	Investigative	44481503	C26H22N6O	434.5	C1=CC=C2C=C(C=CC2=C1)C3=CC=CC(=C3)CNC4=C5C(=NC(=N4)C#N)N(C=N5)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BEL7M2	Acetic acid (2S,3S)-3-{[(R)-2-((S)-benzyloxycarbonylamino)-cyclopentanecarbonyl]-amino}-4-oxo-azetidin-2-yl ester	Investigative	44304634	C19H23N3O6	389.4	CC(=O)O[C@H]1[C@@H](C(=O)N1)NC(=O)[C@@H]2CCC[C@@H]2NC(=O)OCC3=CC=CC=C3	Ki = 52000 nM	Poor binder
T61746	Cathepsin B	BF1W0I	(2S,3S)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644787	C38H60N10O15	896.9	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2[C@H](O2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BF5N9H	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate	Investigative	71615678	C29H34N4O4	502.6	C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 77000 nM	Poor binder
T61746	Cathepsin B	BF9C4I	(3S,4R)-4-(2,3-Dimethylphenoxy)piperidin-3-ol	Investigative	6917747	C13H19NO2	221.29	CC1=C(C(=CC=C1)O[C@@H]2CCNC[C@@H]2O)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BFXT28	N-[2-(Cyanomethylamino)-2-oxoethyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide	Investigative	118720232	C22H21Cl2N3O4	462.3	CC(C)(C1=CC(=CC(=C1)Cl)Cl)C(=O)C2=C(C=CC(=C2)C(=O)NCC(=O)NCC#N)OC	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BG8Z4D	5,7-Dinitroquinolin-8-ol	Investigative	245295	C9H5N3O5	235.15	C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)N=C1	Ki = 72000 nM	Poor binder
T61746	Cathepsin B	BG9A4X	Benzyl N-[(2S)-1-(cyanomethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate	Investigative	11695166	C16H21N3O3	303.36	CC(C)(C)[C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BGI58U	N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide	Investigative	6420159	C25H32N4O3	436.5	COC1=CC=C(C=C1)NCCNC(=O)[C@H](CC2CCCCC2)NC3=NC4=CC=CC=C4O3	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BGRF28	[5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] thiophene-2-carboxylate	Investigative	3243128	C14H11N3O4S2	349.4	C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CS3)N	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BGU2S4	4-[4-[4-(Tert-butylamino)piperidin-1-yl]phenyl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide	Investigative	11562607	C31H41N5O2	515.7	CC(C)(C)NC1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N	Ki = 76000 nM	Poor binder
T61746	Cathepsin B	BGY1E9	[(S)-1-(Pyridin-2-ylaminooxalyl)-pentyl]-carbamic acid (S)-2,2-dimethyl-1-[3-(4-trifluoromethyl-phenyl)-pyrazol-1-ylmethyl]-propyl ester	Investigative	10303526	C29H34F3N5O4	573.6	CCCC[C@@H](C(=O)C(=O)NC1=CC=CC=N1)NC(=O)O[C@H](CN2C=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)C(C)(C)C	IC50 = 107000 nM	Poor binder
T61746	Cathepsin B	BH0KP4	(2R)-2-Amino-3-methyl-N-[2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]butanamide;hydrochloride	Investigative	90665919	C24H24ClN3O2S2	486.1	CC(C)[C@H](C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC4=CC=CC=C4C=C3)N.Cl	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BH5SG9	[2-Oxo-4-(2-pyridylmethylthio)azetidinyl]-N-[2-(phenylmethoxy)ethyl]carboxamide	Investigative	482291	C19H21N3O3S	371.5	C1C(N(C1=O)C(=O)NCCOCC2=CC=CC=C2)SCC3=CC=CC=N3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BHD6A5	Arylaminoethyl amide, 20	Investigative	11649751	C30H34F3N3O4	557.6	COC1=CC=C(C=C1)NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BHI5N3	(2R,3R)-Dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)pyrrolidine-5-carbonyl)aziridine-2,3-dicarboxylate	Investigative	11599792	C34H43N3O8	621.7	CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2[C@H]([C@@H]2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C	Ki = 114000 nM	Poor binder
T61746	Cathepsin B	BHSN41	5-Nitro-7-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]quinolin-8-ol	Investigative	71521815	C20H21N5O3	379.4	C1CN(CCN1CC2=CN=CC=C2)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-]	Ki = 171000 nM	Poor binder
T61746	Cathepsin B	BI06QJ	(2E)-3-(4-Fluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one	Investigative	5728928	C15H11FO2	242.24	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)F	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BI2C3Y	{(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-oxo-azetidin-2-ylsulfanylmethyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl ester	Investigative	482280	C28H44N4O5S	548.7	CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BI4RF2	Benzyl N-[(2S)-1-(cyanomethylamino)-3-hydroxy-1-oxobutan-2-yl]carbamate	Investigative	44405305	C14H17N3O4	291.3	CC([C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1)O	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BIDL94	(E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one	Investigative	8832875	C16H13BrO3	333.18	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O)Br	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BIX6A1	(4As,10R,10aR)-8-(5-chloropyridin-3-yl)-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine	Investigative	67971930	C20H20ClN3O3	385.8	C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)C4=C(O2)C=CC(=C4)C5=CC(=CN=C5)Cl	IC50 = 110000 nM	Poor binder
T61746	Cathepsin B	BJ0Z7M	(E)-1-(4-Fluorophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one	Investigative	38864634	C19H18FNO	295.3	C1CCN(C1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)F	IC50 = 54290 nM	Poor binder
T61746	Cathepsin B	BJ5BD8	6-[[3-(3-Bromo-2-propan-2-yloxyphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile	Investigative	44481236	C25H25BrN6O2	521.4	CC(C)OC1=C(C=CC=C1Br)C2=CC=CC(=C2)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BJ9Y0M	6-Amino-N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide	Investigative	71613101	C21H28N6O3	412.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=CN=C(C=C2)N	Ki = 148000 nM	Poor binder
T61746	Cathepsin B	BJCW94	(S)-2-((S)-2-(3,3-Dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethyl-N1-(1-(oxazolo[4,5-b]pyridin-2-yl)-1-oxopropan-2-yl)succinamide	Investigative	11800689	C27H40N6O6	544.6	CC(C(=O)C1=NC2=C(O1)C=CC=N2)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 = 59000 nM	Poor binder
T61746	Cathepsin B	BJH38F	8-Hydroxy-5-nitroquinoline-2-carbonitrile	Investigative	86140660	C10H5N3O3	215.16	C1=CC2=C(C=CC(=C2N=C1C#N)O)[N+](=O)[O-]	Ki = 68000 nM	Poor binder
T61746	Cathepsin B	BJX41P	2-[Benzyl[(8-hydroxy-5-nitroquinolin-7-yl)methyl]amino]acetonitrile	Investigative	71520322	C19H16N4O3	348.4	C1=CC=C(C=C1)CN(CC#N)CC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 79000 nM	Poor binder
T61746	Cathepsin B	BK91LA	2-((2S,3S)-2-Acetoxy-4-oxo-azetidin-3-ylcarbamoyl)-piperidine-1-carboxylic acid benzyl ester	Investigative	44304611	C19H23N3O6	389.4	CC(=O)O[C@H]1[C@@H](C(=O)N1)NC(=O)C2CCCCN2C(=O)OCC3=CC=CC=C3	Ki = 65000 nM	Poor binder
T61746	Cathepsin B	BKPU36	(2R,3R)-2-N-[(2S)-1-[[(2S)-5-Amino-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644797	C40H63N11O15	938	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]2[C@@H](O2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BKS3B9	3-[4-[[(3S)-3-Cyano-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propoxy]methyl]triazol-1-yl]propanoic acid	Investigative	127050164	C27H30N6O6	534.6	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCOCC2=CN(N=N2)CCC(=O)O)C#N)NC(=O)OCC3=CC=CC=C3	Ki = 196000 nM	Poor binder
T61746	Cathepsin B	BLI34B	2-[(2S)-2-[[(2S)-2-(3,3-Dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-4-methylpentyl]sulfanyl-4-oxo-N-[(1S)-1-phenylpropyl]azetidine-1-carboxamide	Investigative	44282051	C31H50N4O4S	574.8	CC[C@@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SC[C@H](CC(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BM56TX	2-[[(8-Hydroxy-5-nitroquinolin-7-yl)methyl](methyl)amino]acetonitrile	Investigative	71520323	C13H12N4O3	272.26	CN(CC#N)CC1=CC(=C2C=CC=NC2=C1O)[N+](=O)[O-]	Ki = 76000 nM	Poor binder
T61746	Cathepsin B	BM78SE	Benzyl 1-((cyanomethyl)carbamoyl)cyclopentylcarbamate	Investigative	11507712	C16H19N3O3	301.34	C1CCC(C1)(C(=O)NCC#N)NC(=O)OCC2=CC=CC=C2	Ki = 110000 nM	Poor binder
T61746	Cathepsin B	BM8N4U	Methyl (E)-4-[[2-[(3R)-5-(4-bromophenyl)-3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyloxymethyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetyl]amino]but-2-enoate	Investigative	49798881	C31H25BrClF3N4O6	721.9	COC(=O)/C=C/CNC(=O)CN1C2=CC=CC=C2C(=N[C@@H](C1=O)COC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)C4=CC=C(C=C4)Br	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BMB1L4	(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide	Investigative	16661526	C26H34F3N3O4S2	573.7	CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BMP4T5	(2S)-6-Amino-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenylpropanoyl]amino]hexanamide	Investigative	71613324	C24H32N4O4	440.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CCC2=CC=C(C=C2)O	Ki = 135000 nM	Poor binder
T61746	Cathepsin B	BMS5G1	1-[3-[(2Z)-3,7-Dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one	Investigative	118724585	C25H30O5	410.5	CC(=CCC/C(=C\\CC1=C(C(=C(C=C1O)O)C(=O)CCC2=CC=C(C=C2)O)O)/C)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BN1E0J	(2R)-N-(Cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanamide	Investigative	9908450	C24H30N4O	390.5	CC(C)C[C@H](C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N	IC50 = 86000 nM	Poor binder
T61746	Cathepsin B	BNHQ54	cis-(S)-2-Amino-N-((1R,2R)-1-cyano-2-phenylcyclopropyl)-3-(thiophen-2-yl)propanamide	Investigative	24822701	C17H17N3OS	311.4	C1[C@@H]([C@]1(C#N)NC(=O)[C@H](CC2=CC=CS2)N)C3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BNW18G	Benzyl 1-((cyanomethyl)carbamoyl)cyclohexylcarbamate	Investigative	11602113	C17H21N3O3	315.37	C1CCC(CC1)(C(=O)NCC#N)NC(=O)OCC2=CC=CC=C2	Ki = 64000 nM	Poor binder
T61746	Cathepsin B	BOCP70	(2S)-2-[[(2S)-2-(3,5-Dichlorophenyl)-2-(ethylamino)acetyl]amino]-3,3-dimethyl-N-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]butanamide	Investigative	118720238	C22H32Cl2N4O5S	535.5	CCN[C@@H](C1=CC(=CC(=C1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NC/C=C/S(=O)(=O)C)C(C)(C)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BOU76V	(E)-3-(4-Fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one	Investigative	5897251	C16H13FO3	272.27	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F)O	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BOV2E3	((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-1-phenyl-ethylcarbamoyl)-azetidin-2-yloxymethyl]-butylcarbamoyl}-propyl)-carbamic acid tert-butyl ester	Investigative	482278	C29H46N4O6	546.7	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)OC[C@H](CC(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BP1FH9	[1-((3S,4R)-2-Oxo-4-phenoxy-azetidin-3-ylcarbamoyl)-cyclohexyl]-carbamic acid benzyl ester	Investigative	44304861	C24H27N3O5	437.5	C1CCC(CC1)(C(=O)N[C@H]2[C@H](NC2=O)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BP25OZ	Chembl4227299	Investigative	145968853	C13H9N5O6	331.24	CN(CC#N)C(=O)C1=NC2=C(C=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]	Ki = 109000 nM	Poor binder
T61746	Cathepsin B	BP5O2G	(2R,3R)-2-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644792	C39H60N10O14	893	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]2[C@@H](O2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BP6TD0	(S)-3,3-Dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)phenyl)imidazolidin-1-yl)butan-2-yl(S)-1-(1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-ylcarbamate	Investigative	44397609	C27H35F3N6O5	580.6	CCCC[C@@H](C(=O)C(=O)NC1=CC=NN1)NC(=O)O[C@H](CN2CCN(C2=O)C3=CC=C(C=C3)C(F)(F)F)C(C)(C)C	IC50 = 60000 nM	Poor binder
T61746	Cathepsin B	BPAZ13	6-[[3-(3-Chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile	Investigative	44480470	C22H19ClN6O	418.9	C1=CC(=CC(=C1)C2=CC(=CC=C2)Cl)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BPUB08	Pyrrolidine, 1-(4-nitro-1-naphthalenyl)-	Investigative	4430623	C14H14N2O2	242.27	C1CCN(C1)C2=CC=C(C3=CC=CC=C32)[N+](=O)[O-]	Ki = 170000 nM	Poor binder
T61746	Cathepsin B	BQ17TL	Chembl4228126	Investigative	145970706	C12H8N4O4	272.22	C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NCC#N)[N+](=O)[O-]	Ki = 67000 nM	Poor binder
T61746	Cathepsin B	BQ6CR0	(1r,2s)-Ethyl 2-[[(8-hydroxy-5-nitroquinolin-7-yl)methyl]amino]cyclohexanecarboxylate	Investigative	71520327	C19H23N3O5	373.4	CCOC(=O)[C@@H]1CCCC[C@@H]1NCC2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 74000 nM	Poor binder
T61746	Cathepsin B	BQB9A5	2-Oxo-4-phenethylsulfanyl-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide	Investigative	482284	C20H22N2O2S	354.5	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCCC3=CC=CC=C3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BQG6H0	N-[(2-Cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-[2-(dimethylamino)ethoxy]benzamide	Investigative	118720235	C27H27Cl2N5O3	540.4	CC(C)(C1=CC(=CC(=C1)Cl)Cl)C(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC(=NC=C3)C#N)OCCN(C)C	IC50 = 81000 nM	Poor binder
T61746	Cathepsin B	BQJ3P6	9-(3-Hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-indol-3-yl)benzylamino)-9H-purine-2-carbonitrile	Investigative	44481776	C30H25N7O3S	563.6	C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC=CC(=C4)CNC5=C6C(=NC(=N5)C#N)N(C=N6)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BQJE12	N-[(1-Cyanopyrrolidin-2-yl)methyl]benzamide	Investigative	9920989	C13H15N3O	229.28	C1CC(N(C1)C#N)CNC(=O)C2=CC=CC=C2	IC50 = 75000 nM	Poor binder
T61746	Cathepsin B	BR6J3X	Chembl4240103	Investigative	145984217	C15H13F3N6O2	366.3	C1COCCN1C2=NC(=NC(=N2)NC3=CC(=CC=C3)OC(F)(F)F)C#N	IC50 = 74000 nM	Poor binder
T61746	Cathepsin B	BR6S1L	(E)-1-(4-Fluorophenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one	Investigative	71624733	C16H13FO3	272.27	COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)F	IC50 = 95090 nM	Poor binder
T61746	Cathepsin B	BRT8S9	((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-1-phenyl-ethylcarbamoyl)-azetidin-2-yloxymethyl]-butylcarbamoyl}-propyl)-carbamic acid tert-butyl ester	Investigative	482279	C29H46N4O6	546.7	C[C@@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)OC[C@H](CC(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BRV52Z	[(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-phenyl-methyl]-carbamic acid benzyl ester	Investigative	44342803	C21H21N3O5	395.4	C1CO[C@H]2N1C(=O)[C@H]2NC(=O)[C@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BS3N2I	(E)-3-(3-Bromo-4-methoxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one	Investigative	71624621	C16H13BrO4	349.17	COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)Br	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BSM52E	2-(Morpholin-4-ylmethyl)-4-nitrophenol	Investigative	782422	C11H14N2O4	238.24	C1COCCN1CC2=C(C=CC(=C2)[N+](=O)[O-])O	Ki = 97000 nM	Poor binder
T61746	Cathepsin B	BSQY07	Dipeptide-derived nitrile, 17	Investigative	14655218	C19H19N3O3	337.4	C1=CC=C(C=C1)C[C@@H](C(=O)NCC#N)NC(=O)OCC2=CC=CC=C2	IC50 = 62000 nM	Poor binder
T61746	Cathepsin B	BT2Q3C	N-{(1S)-2,2,2-Trifluoro-1-[4'-(methylsulfonyl)biphenyl-4-yl]ethyl}-L-leucylglycinamide	Investigative	16661369	C23H28F3N3O4S	499.5	CC(C)C[C@@H](C(=O)NCC(=O)N)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BTBI15	Chembl4227268	Investigative	145971136	C14H13N3O5	303.27	C1COCCN1C(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 122000 nM	Poor binder
T61746	Cathepsin B	BTI25M	(2S,4R)-1-(2-Nitro-phenyl)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzooxazole-2-carbonyl)-propyl]-amide	Investigative	71577052	C29H25F3N4O7S	630.6	CC[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)[C@@H]3C[C@H](CN3C4=CC=CC=C4[N+](=O)[O-])S(=O)(=O)C5=CC=CC=C5C(F)(F)F	IC50 = 105500 nM	Poor binder
T61746	Cathepsin B	BTI26J	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate	Investigative	73354926	C20H28N6O4	416.5	C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 56000 nM	Poor binder
T61746	Cathepsin B	BTI5Z9	(E)-3-(3-Bromo-4-methoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one	Investigative	71624622	C17H15BrO4	363.2	COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)Br)O	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BU0N9T	(5S,6R)-6alpha-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4-thia-1-azabicyclo[3.2.0]heptane-7-one	Investigative	15547226	C22H23N3O4S	425.5	C1CS[C@@H]2N1C(=O)[C@H]2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BU56EW	Ac-Glu(OtBu)-Ala-LeuVSMe	Investigative	11583999	C22H39N3O7S	489.6	C[C@@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C	IC50 = 77000 nM	Poor binder
T61746	Cathepsin B	BU95EF	Chembl4228576	Investigative	145970039	C14H10N4O4	298.25	C1CC1(C#N)NC(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 124000 nM	Poor binder
T61746	Cathepsin B	BV03WD	(3S)-3-Acetamido-4-[[(2R)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(benzylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid	Investigative	73345448	C39H57N7O12	815.9	CCC[C@@H](C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C	IC50 = 172000 nM	Poor binder
T61746	Cathepsin B	BV28ZF	Disodium aurothiomalate	Investigative	4479093	C4H3AuO4S-2	344.1	C(C(C(=O)[O-])[S-])C(=O)[O-].[Au+]	IC50 = 150000 nM	Poor binder
T61746	Cathepsin B	BV5MK3	(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide	Investigative	127042341	C21H22N4O4S	426.5	C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C#N	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BV6WD1	1-(5,7-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one	Investigative	118719334	C25H30O5	410.5	CC(=CCC1=C(C=CC(=C1)CCC(=O)C2=C(C3=C(C=C2O)OC(CC3)(C)C)O)O)C	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BV75GZ	Chembl4249139	Investigative	145982654	C14H13FN6O	300.29	C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)C#N	IC50 = 160000 nM	Poor binder
T61746	Cathepsin B	BVDZ27	Chembl4227036	Investigative	145968844	C19H13N5O6	407.3	C1=CC=C(C=C1)CN(CC#N)C(=O)C2=NC3=C(C=C2)C(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-]	Ki = 154000 nM	Poor binder
T61746	Cathepsin B	BVR6L2	Ptosyl-NeopentylAsn-Ser-LeuVSMe	Investigative	11599767	C27H44N4O8S2	616.8	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C	IC50 ~ 150000 nM	Poor binder
T61746	Cathepsin B	BVW60I	2-Chloro-5-[[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxoimidazol-1-yl]sulfamoyl]benzoic acid	Investigative	44415219	C18H14ClN3O5S2	451.9	CSC1=CC=C(C=C1)/C=C\\2/C(=O)N(C=N2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O	IC50 = 63100 nM	Poor binder
T61746	Cathepsin B	BW1L5K	(1R,2R,4R)-4-(Benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(3-hydroxyazetidine-1-carbonyl)cyclopentane-1-carboxamide	Investigative	49834906	C20H23N3O5S	417.5	C1CC1(C#N)NC(=O)[C@@H]2C[C@H](C[C@H]2C(=O)N3CC(C3)O)S(=O)(=O)C4=CC=CC=C4	IC50 = 63300 nM	Poor binder
T61746	Cathepsin B	BW45AY	Benzyl N-[(2S)-3-[4-(3-chlorophenyl)phenyl]-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamate	Investigative	71615680	C29H33ClN4O4	537	C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC(=CC=C3)Cl)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 58000 nM	Poor binder
T61746	Cathepsin B	BW4DQ9	(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide	Investigative	127042051	C22H24N4O5S	456.5	COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C#N	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BW5U1T	2-Amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide;2,2,2-trifluoroacetic acid	Investigative	49797571	C19H17F4N3O3S	443.4	C1[C@@H]([C@]1(C#N)NC(=O)C(CC2=C(C=CS2)F)N)C3=CC=CC=C3.C(=O)(C(F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BW9YN5	Chembl4224831	Investigative	145970104	C19H14N4O4	362.3	C1=CC=C(C=C1)CN(CC#N)C(=O)C2=NC3=C(C=CC(=C3C=C2)[N+](=O)[O-])O	Ki = 156000 nM	Poor binder
T61746	Cathepsin B	BWK17P	Cbz-Phe-[Gly-cis epoxy-Gly]-Ala-AlaOMe	Investigative	44580454	C29H36N4O8	568.6	C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)C[C@@H]1[C@@H](O1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	Ki = 94000 nM	Poor binder
T61746	Cathepsin B	BWN0X4	3-[(4As,10R,10aR)-2'-amino-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-8-yl]benzonitrile	Investigative	67950125	C22H21N3O3	375.4	C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)C4=C(O2)C=CC(=C4)C5=CC=CC(=C5)C#N	IC50 = 58000 nM	Poor binder
T61746	Cathepsin B	BWR94J	Benzyl N-[(2S)-1-(cyanomethylamino)-2,4-dimethyl-1-oxopentan-2-yl]carbamate	Investigative	44405280	C17H23N3O3	317.4	CC(C)C[C@@](C)(C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BX0KR5	6-[[3-(3,5-Dichlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile	Investigative	44480725	C22H18Cl2N6O	453.3	C1=CC(=CC(=C1)C2=CC(=CC(=C2)Cl)Cl)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BX21IK	(2R,3R)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644789	C40H62N10O14	907	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]2[C@@H](O2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 50000 nM	Poor binder
T61746	Cathepsin B	BX35KM	4-(5-{(Z)-[1-(4-Chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-furyl)benzoic acid	Investigative	5348879	C21H13ClN2O5	408.8	C1=CC(=CC=C1C2=CC=C(O2)/C=C\\3/C(=O)NN(C3=O)C4=CC=C(C=C4)Cl)C(=O)O	IC50 = 81500 nM	Poor binder
T61746	Cathepsin B	BX9AS7	Chembl4228081	Investigative	145968405	C25H22N4O2	410.5	C1CC1(C#N)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BX9O5Q	(2R,3R)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644795	C41H64N10O14	921	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]2[C@@H](O2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 50000 nM	Poor binder
T61746	Cathepsin B	BXE52A	2-Benzylsulfanyl-4-oxo-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide	Investigative	482283	C19H20N2O2S	340.4	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CC=CC=C3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BXJ38P	6-[[3-(3-Ethenylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile	Investigative	44480979	C24H22N6O	410.5	C=CC1=CC(=CC=C1)C2=CC=CC(=C2)CNC3=C4C(=NC(=N3)C#N)N(C=N4)CCCO	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BXV37R	Benzyl N-[(1S)-2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate	Investigative	11558838	C18H17N3O3	323.3	C1=CC=C(C=C1)COC(=O)N[C@@H](C2=CC=CC=C2)C(=O)NCC#N	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BY23LZ	(3R,4S)-3-Methyl-2-oxo-N-[(1R)-1-phenylpropyl]-4-(pyridin-2-ylmethylsulfanyl)azetidine-1-carboxamide	Investigative	9887581	C20H23N3O2S	369.5	CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@H]([C@@H](C2=O)C)SCC3=CC=CC=N3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BYEZ36	[(S)-2-Phenyl-1-((6R,7R)-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-7-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester	Investigative	44342501	C23H25N3O6S	471.5	C1CN2[C@@H]([C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)S(=O)(=O)C1	IC50 ~ 50000 nM	Poor binder
T61746	Cathepsin B	BYIV01	[(S)-1-((S)-3-Methoxy-2-oxo-1-phenethyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester	Investigative	9825191	C26H34N2O5	454.6	CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)COC)NC(=O)OCC2=CC=CC=C2	Ki ~ 150000 nM	Poor binder
T61746	Cathepsin B	BYJ13B	{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid	Investigative	767163	C14H15NO2S	261.339	CC1=CC=C(N1C2=CC=C(C=C2)SCC(=O)O)C	IC50 = 58300 nM	Poor binder
T61746	Cathepsin B	BYRC03	4-Nitro-1-naphthol	Investigative	343829	C10H7NO3	189.17	C1=CC=C2C(=C1)C(=CC=C2O)[N+](=O)[O-]	Ki = 84000 nM	Poor binder
T61746	Cathepsin B	BYUR53	(2S,3S)-2-N-[(2S,3R)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide	Investigative	90644783	C38H58N10O15	894.9	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2[C@H](O2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)O	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BZ0E3O	(E)-3-(4-Fluorophenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one	Investigative	71624735	C16H13FO3	272.27	COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)F	IC50 ~ 100000 nM	Poor binder
T61746	Cathepsin B	BZ1JI5	N-[1-[[(2S)-1-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]-4-(trifluoromethoxy)benzamide	Investigative	10167323	C29H31F3N4O6	588.6	CCC[C@@H](C(=O)C1=NN=C(O1)C2=CC=C(C=C2)OC)NC(=O)C3(CCCCC3)NC(=O)C4=CC=C(C=C4)OC(F)(F)F	Ki = 57000 nM	Poor binder
T61746	Cathepsin B	BZ20PF	N-((1R)-1-Phenylethyl)[2-oxo-4-(4-pyridylmethylthio)azetidinyl]carboxamide	Investigative	482285	C18H19N3O2S	341.4	C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CC=NC=C3	IC50 ~ 75000 nM	Poor binder
T61746	Cathepsin B	BZ20YX	2-Hydroxy-5-(5-{(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid	Investigative	5292405	C18H11N3O5S2	413.4	C1=CC(=C(C=C1C2=CC=C(O2)/C=C\\3/C(=O)N(C(=N)S3)C4=NC=CS4)C(=O)O)O	IC50 = 72300 nM	Poor binder
T61746	Cathepsin B	BZ34LO	Chembl4228606	Investigative	145967500	C12H8N4O3	256.22	C1=CC2=C(C=CC(=C2N=C1)C(=O)NCC#N)[N+](=O)[O-]	Ki = 190000 nM	Poor binder
T61746	Cathepsin B	BZ40KM	S-Cyclohexyl cyclohexane-1-sulfinothioate	Investigative	49865938	C12H22OS2	246.4	C1CCC(CC1)SS(=O)C2CCCCC2	Ki ~ 100000 nM	Poor binder
T61746	Cathepsin B	BZD9X3	N-[(2-Pyridinyl)methyl]-5-nitroquinoline-8-amine-	Investigative	43414832	C15H12N4O2	280.28	C1=CC=NC(=C1)CNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 87000 nM	Poor binder
T61746	Cathepsin B	BZHG62	Chembl4227015	Investigative	145968135	C15H15N3O4	301.3	C1CCN(CC1)C(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]	Ki = 171000 nM	Poor binder
T61746	Cathepsin B	D09AHN	N-(tert-butoxycarbonyl)-leucyl-glycine-nitrile	Investigative	11492732	C13H23N3O3	269.34	CC(C)C[C@@H](C(=O)NCC#N)NC(=O)OC(C)(C)C	Ki = 94000 nM	Poor binder
T61746	Cathepsin B	D09GZQ	Ac-hPhe-Leu-Gly-LeuVSMe	Investigative	11713852	C28H44N4O6S	564.7	CC(C)C[C@@H](/C=C/S(=O)(=O)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C	IC50 ~ 150000 nM	Poor binder
T61746	Cathepsin B	D09IMK	Cbz-Ile-t-ButylGln-Ala-LeuVSMe	Investigative	11621748	C34H55N5O8S	693.9	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1	IC50 = 51000 nM	Poor binder
T61746	Cathepsin B	D0B3US	Cbz-Ile-MetO2-Ala-LeuVSMe	Investigative	11585523	C29H46N4O9S2	658.8	CC[C@H](C)[C@@H](C(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)OCC1=CC=CC=C1	IC50 = 140000 nM	Poor binder
T61746	Cathepsin B	D0G8OD	N-(benzyloxycarbonyl)-leucyl-glycine-nitrile	Investigative	11702208	C16H21N3O3	303.36	CC(C)C[C@@H](C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1	Ki = 123000 nM	Poor binder
T61746	Cathepsin B	D0J5VK	NSC-622445	Investigative	67145	C15H12O6	288.25	C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O	IC50 = 90200 nM	Poor binder