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	B0C5ED	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	73348851	C23H30N4O4	426.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)OCC2=CC=CC=C2	Ki = 3406000 nM	Non binder
T61746	Cathepsin B	B0E1QH	4-Benzylsulfanyl-6-(cyclopropylmethylsulfanyl)-1H-1,3,5-triazin-2-one	Investigative	54769414	C14H15N3OS2	305.4	C1CC1CSC2=NC(=NC(=O)N2)SCC3=CC=CC=C3	Ki = 211500 nM	Non binder
T61746	Cathepsin B	B0OI3U	(S)-N1-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-succinamide	Investigative	10745144	C28H43N5O6	545.7	CC(C)(C)CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)N[C@H]1CN(C1=O)OCC2=CC=CC=C2)C(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	B0T2EC	Benzyl N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	26794600	C22H27N3O4S	429.5	CSCC[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2	Ki = 7096000 nM	Non binder
T61746	Cathepsin B	B16GAX	Chembl4228921	Investigative	145988823	C23H21N5O5	447.4	C1CN(CCC1CNC(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])C4=NC5=CC=CC=C5O4	Ki = 237000 nM	Non binder
T61746	Cathepsin B	B1HRN2	2-[4-[[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyridin-2-yl]pyridine-4-carboxylic acid	Investigative	71613102	C27H30N6O5	518.6	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=CC(=NC=C2)C3=NC=CC(=C3)C(=O)O	Ki = 860000 nM	Non binder
T61746	Cathepsin B	B1ITE4	Benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate	Investigative	73348857	C29H42N8O5	582.7	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2	Ki = 1303000 nM	Non binder
T61746	Cathepsin B	B1KJN5	(1r)-1-{[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2,2-dimethylpropyl(1S)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate	Investigative	10186046	C25H31FN6O5	514.5	CCCC[C@@H](C(=O)C(=O)NC1=CC=NN1)NC(=O)O[C@H](CC2=NN=C(O2)C3=CC=C(C=C3)F)C(C)(C)C	IC50 = 3500000 nM	Non binder
T61746	Cathepsin B	B1RI8J	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-[4-(3-methylphenyl)phenyl]-1-oxopropan-2-yl]carbamate	Investigative	71615681	C30H36N4O4	516.6	CC1=CC(=CC=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 = 389000 nM	Non binder
T61746	Cathepsin B	B1Y5KN	(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-2-methyl-1-{(S)-2-methyl-1-[2-((S)-3,3,4,4,4-pentafluoro-2-oxo-1-propyl-butylcarbamoyl)-pyrrolidine-1-carbonyl]-propylcarbamoyl}-butyl)-succinamic acid	Investigative	73353013	C33H49F5N6O11	800.8	CCC[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=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 = 416000 nM	Non binder
T61746	Cathepsin B	B29LUZ	[(2S)-3,3-Dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] N-[(3S)-1-(1,2-oxazol-5-ylmethylamino)-1,2-dioxoheptan-3-yl]carbamate	Investigative	10120903	C28H34F3N5O5	577.6	CCCC[C@@H](C(=O)C(=O)NCC1=CC=NO1)NC(=O)O[C@H](CN2C=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)C(C)(C)C	IC50 = 870000 nM	Non binder
T61746	Cathepsin B	B2R7XL	(2S)-6-Amino-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]hexanamide	Investigative	71613323	C24H32N4O3	424.5	C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 2035000 nM	Non binder
T61746	Cathepsin B	B2YBF6	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]naphthalene-2-carboxamide	Investigative	71612902	C26H30N4O3	446.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=CC3=CC=CC=C3C=C2	Ki = 301000 nM	Non binder
T61746	Cathepsin B	B35ZWG	Ethyl 2-methyl-4,4-diphenylbuta-2,3-dienoate	Investigative	13814218	C19H18O2	278.3	CCOC(=O)C(=C=C(C1=CC=CC=C1)C2=CC=CC=C2)C	IC50 = 232000 nM	Non binder
T61746	Cathepsin B	B3H7YX	Ethyl (E)-4-[[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-(2-amino-2-oxoethyl)amino]-4-oxobut-2-enoate	Investigative	57399677	C15H22N4O6	354.36	CCOC(=O)/C=C/C(=O)N(CC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)C	IC50 > 1000000 nM	Non binder
T61746	Cathepsin B	B3RXV1	(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-[(1S,2S)-2-methyl-1-((S)-2-methyl-1-{2-[(S)-1-(2,2,2-trifluoro-acetyl)-butylcarbamoyl]-pyrrolidine-1-carbonyl}-propylcarbamoyl)-butyl]-succinamic acid	Investigative	483672	C32H49F3N6O11	750.8	CCC[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=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 > 900000 nM	Non binder
T61746	Cathepsin B	B41XJK	(3S)-3-[[(2S)-1-Acetylpyrrolidine-2-carbonyl]amino]-5-(2,6-dimethylbenzoyl)oxy-4-oxopentanoic acid	Investigative	127053772	C21H26N2O7	418.4	CC1=C(C(=CC=C1)C)C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)C	IC50 > 1000000 nM	Non binder
T61746	Cathepsin B	B52EAB	(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(4-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide	Investigative	10507021	C29H43N5O6	557.7	CC1=C2C(=CC=C1)OC(=N2)C(=O)C(C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	B5ATB9	[(S)-3-Methyl-1-((S)-2-oxo-1-phenethyl-propylcarbamoyl)-butyl]-carbamic acid benzyl ester	Investigative	44329571	C25H32N2O4	424.5	CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)C)NC(=O)OCC2=CC=CC=C2	Ki = 519000 nM	Non binder
T61746	Cathepsin B	B5B6JX	[(S)-1-(Thiazol-2-ylaminooxalyl)-pentyl]-carbamic acid (S)-2,2-dimethyl-1-[4-(4-trifluoromethyl-phenyl)-imidazol-1-ylmethyl]-propyl ester	Investigative	10303657	C27H32F3N5O4S	579.6	CCCC[C@@H](C(=O)C(=O)NC1=NC=CS1)NC(=O)O[C@H](CN2C=C(N=C2)C3=CC=C(C=C3)C(F)(F)F)C(C)(C)C	IC50 = 870000 nM	Non binder
T61746	Cathepsin B	B5GDL2	Chembl4228082	Investigative	145968645	C23H21N5O4S	463.5	C1CN(CCC1CNC(=O)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-])C4=NC5=CC=CC=C5S4	Ki = 322000 nM	Non binder
T61746	Cathepsin B	B5TEG2	(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(5-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide	Investigative	10816650	C29H43N5O6	557.7	CC1=CC2=C(C=C1)OC(=N2)C(=O)C(C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	B67SEU	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-[4-(2-methylphenyl)phenyl]-1-oxopropan-2-yl]carbamate	Investigative	71615682	C30H36N4O4	516.6	CC1=CC=CC=C1C2=CC=C(C=C2)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)OCC3=CC=CC=C3	Ki = 245000 nM	Non binder
T61746	Cathepsin B	B6AS7O	Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate	Investigative	73351955	C29H41N5O5	539.7	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)OCC2=CC=CC=C2	Ki = 1185000 nM	Non binder
T61746	Cathepsin B	B6EIG3	(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-(3,3,4,4,4-pentafluoro-1-methyl-2-oxo-butyl)-succinamide	Investigative	10460031	C23H37F5N4O5	544.6	CC(C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	B6G5CA	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylbenzamide	Investigative	71612697	C24H32N4O3	424.5	CC1=C(C(=CC=C1)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 3387000 nM	Non binder
T61746	Cathepsin B	B6HSN9	2-{(R)-3-[(R)-3-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-oxo-cyclohexyl]-propionylamino}-3-phenyl-propionic acid	Investigative	10438758	C35H39N3O7	613.7	C1C[C@@H](C(=O)[C@@H](C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O	Ki = 1100000 nM	Non binder
T61746	Cathepsin B	B6NT2Y	(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(6-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide	Investigative	10674356	C29H43N5O6	557.7	CC1=CC2=C(C=C1)N=C(O2)C(=O)C(C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 = 225000 nM	Non binder
T61746	Cathepsin B	B6RB5U	Chembl4251253	Investigative	145983891	C15H13F3N6O2	366.3	C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)OC(F)(F)F)C#N	IC50 > 500000 nM	Non binder
T61746	Cathepsin B	B70DIC	4-Benzylsulfanyl-6-propylsulfanyl-1H-1,3,5-triazin-2-one	Investigative	54769410	C13H15N3OS2	293.4	CCCSC1=NC(=NC(=O)N1)SCC2=CC=CC=C2	Ki = 259000 nM	Non binder
T61746	Cathepsin B	B7BSG8	7-(Cyanomethylaminomethyl)-5-nitro-8-quinolinol	Investigative	71520324	C12H10N4O3	258.23	C1=CC2=C(C=C(C(=C2N=C1)O)CNCC#N)[N+](=O)[O-]	Ki = 426000 nM	Non binder
T61746	Cathepsin B	B7Y8VA	Chembl4225141	Investigative	145967825	C14H11N3O2	253.26	CN1C=CC=C1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3	Ki = 224000 nM	Non binder
T61746	Cathepsin B	B8AKN4	Benzophenone	Investigative	3102	C13H10O	182.22	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2	IC50 = 288800 nM	Non binder
T61746	Cathepsin B	B8M5RK	Benzyl N-[(2S)-1-[[(2S)-1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	73345851	C26H28N4O4	460.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)N)C(=O)N)NC(=O)OCC3=CC=CC=C3	Ki = 2787000 nM	Non binder
T61746	Cathepsin B	B93JAU	N-[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentene-1-carboxamide	Investigative	71613322	C21H30N4O3	386.5	C1CC=C(C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 623000 nM	Non binder
T61746	Cathepsin B	B97LNW	Benzyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]carbamate	Investigative	73348858	C29H42N6O5	554.7	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)OCC2=CC=CC=C2	Ki = 1494000 nM	Non binder
T61746	Cathepsin B	B9HM0N	Carbobenzyloxy-L-phenylalanyl-L-leucinamide	Investigative	13386706	C23H29N3O4	411.5	CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2	Ki = 4341000 nM	Non binder
T61746	Cathepsin B	BA36RU	(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane	Investigative	9861019	C18H19NO3	297.3	C1[C@@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	Ki = 367000 nM	Non binder
T61746	Cathepsin B	BBX0Q5	Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-6-hydroxy-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	73348852	C23H30N4O5	442.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCC(N)O)C(=O)N)NC(=O)OCC2=CC=CC=C2	Ki = 1734000 nM	Non binder
T61746	Cathepsin B	BD9AE2	Benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate	Investigative	73350441	C28H38N6O6	554.6	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC2=CC=CC=C2	Ki = 3545000 nM	Non binder
T61746	Cathepsin B	BE65FP	Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate	Investigative	73345852	C34H40N6O5	612.7	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4	Ki = 835000 nM	Non binder
T61746	Cathepsin B	BFD67U	4-Tert-butyl-N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide	Investigative	71612696	C26H36N4O3	452.6	CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 312000 nM	Non binder
T61746	Cathepsin B	BFM37S	2-[(4-Benzylsulfanyl-6-oxo-1H-1,3,5-triazin-2-yl)sulfanyl]acetic acid	Investigative	54769413	C12H11N3O3S2	309.4	C1=CC=C(C=C1)CSC2=NC(=O)NC(=N2)SCC(=O)O	Ki = 351000 nM	Non binder
T61746	Cathepsin B	BFV1N0	(4Ar,10S,10aS)-8-(2-fluoropyridin-3-yl)spiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine	Investigative	118722347	C19H18FN3O2S	371.4	C1C[C@@H]2[C@H]([C@]3(CSC(=N3)N)C4=C(O2)C=CC(=C4)C5=C(N=CC=C5)F)OC1	IC50 > 200000 nM	Non binder
T61746	Cathepsin B	BGE91S	(4As,10R,10aR)-4a-methyl-8-pyrimidin-5-ylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine	Investigative	67950129	C19H20N4O3	352.4	C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)C4=C(O2)C=CC(=C4)C5=CN=CN=C5	IC50 > 200000 nM	Non binder
T61746	Cathepsin B	BH26JB	(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(7-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide	Investigative	10554839	C29H43N5O6	557.7	CC1=C2C(=CC=C1)N=C(O2)C(=O)C(C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BH3NK0	(S)-N1-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-methyl-2-oxo-propyl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-succinamide	Investigative	10817508	C30H45F2N5O6	609.7	C[C@@H](C(=O)C(C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BHC89A	1-[[(2S)-4-(Dimethylamino)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-4-oxobutanoyl]amino]ethyl-(diphenoxymethyl)-oxophosphanium	Investigative	44354163	C33H48N4O7P+	643.7	CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C)[P+](=O)C(OC1=CC=CC=C1)OC2=CC=CC=C2	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BJ6FS9	2-Bromo-4-nitronaphthalen-1-amine	Investigative	22988664	C10H7BrN2O2	267.08	C1=CC=C2C(=C1)C(=CC(=C2N)Br)[N+](=O)[O-]	Ki = 212000 nM	Non binder
T61746	Cathepsin B	BK4B3D	Benzyl N-[(2S)-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	73350437	C22H28N4O4	412.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)N)NC(=O)OCC2=CC=CC=C2	Ki = 2460000 nM	Non binder
T61746	Cathepsin B	BL3O8G	(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid	Investigative	481422	C31H50N6O12	698.8	CCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=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 > 1000000 nM	Non binder
T61746	Cathepsin B	BMN95C	Ethyl (2R,3R)-3-[[(1-acetylpyrrolidine-2-carbonyl)amino]-(2-amino-2-oxoethyl)carbamoyl]oxirane-2-carboxylate	Investigative	127053771	C15H22N4O7	370.36	CCOC(=O)[C@H]1[C@@H](O1)C(=O)N(CC(=O)N)NC(=O)C2CCCN2C(=O)C	IC50 = 390000 nM	Non binder
T61746	Cathepsin B	BMU03A	2-Chloro-N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-nitrobenzamide	Investigative	71613098	C22H26ClN5O5	475.9	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl	Ki = 1757000 nM	Non binder
T61746	Cathepsin B	BNVG37	[2-[(E)-[2-Methylpropyl-[2-[2-methylpropyl(phenylmethoxycarbonylamino)amino]-2-oxoethyl]hydrazinylidene]methyl]phenyl]boronic acid	Investigative	11237019	C25H35BN4O5	482.4	B(C1=CC=CC=C1/C=N/N(CC(C)C)CC(=O)N(CC(C)C)NC(=O)OCC2=CC=CC=C2)(O)O	IC50 > 1000000 nM	Non binder
T61746	Cathepsin B	BO3HD9	(3S)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]hexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide	Investigative	44394250	C41H57N7O6	743.9	CCCC(C(=O)C(=O)N[C@H](C)C1=CC=CC=C1)NC(=O)[C@@H]2C3CCCC3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5	Ki = 283000 nM	Non binder
T61746	Cathepsin B	BOU2T4	[4-[[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl] acetate	Investigative	71612906	C24H30N4O5	454.5	CC(=O)OC1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 706000 nM	Non binder
T61746	Cathepsin B	BPMQ36	Chembl4224754	Investigative	145970798	C9H7N3O3	205.17	C1=CC(=NC2=C(C=CC(=C21)[N+](=O)[O-])O)N	Ki = 202000 nM	Non binder
T61746	Cathepsin B	BQ7T0D	Benzyl N-[(2S)-1-[[(2S)-1-amino-6-(methylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	73354924	C24H32N4O4	440.5	CNCCCC[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2	Ki = 1547000 nM	Non binder
T61746	Cathepsin B	BQ87SL	Diethylhexylphthalate	Investigative	7057919	C24H38O4	390.6	CCCC[C@@H](CC)COC(=O)C1=CC=CC=C1C(=O)OC[C@@H](CC)CCCC	IC50 = 380000 nM	Non binder
T61746	Cathepsin B	BQ9L6R	(S)-2-{[(2S,4R)-1-((S)-2-{(S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-2-cyclohexyl-acetylamino}-3-methyl-butyryl)-4-(naphthalen-2-ylmethoxy)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid	Investigative	481437	C45H62N6O13	895	CCC[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC4=CC=CC=C4C=C3	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BQW7Z8	(S)-2-((S)-2-(3,3-Dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethyl-N1-(4,4,4-trifluoro-3-oxobutan-2-yl)succinamide	Investigative	15407997	C22H37F3N4O5	494.5	C[C@@H](C(=O)C(F)(F)F)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BR8C5L	(R)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((R)-1-benzylcarbamoyl-butylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid	Investigative	73353012	C38H57N7O11	787.9	CCC[C@H](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 > 1000000 nM	Non binder
T61746	Cathepsin B	BRZV10	[3-[[(2S)-1-[[(2S)-1,6-Diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl] acetate	Investigative	71612905	C24H30N4O5	454.5	CC(=O)OC1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N	Ki = 1020000 nM	Non binder
T61746	Cathepsin B	BT5SU9	3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethylamino)-ethyl)-2-oxopentanamide	Investigative	46930813	C28H38N4O5	510.6	CC(C)C[C@@H](C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)NCCN(C)C)NC(=O)OCC2=CC=CC=C2	Ki = 475000 nM	Non binder
T61746	Cathepsin B	BVCT19	[3-[(E)-[Benzyl-[2-[2-methylpropyl(phenylmethoxycarbonylamino)amino]-2-oxoethyl]hydrazinylidene]methyl]phenyl]boronic acid	Investigative	11432299	C28H33BN4O5	516.4	B(C1=CC(=CC=C1)/C=N/N(CC2=CC=CC=C2)CC(=O)N(CC(C)C)NC(=O)OCC3=CC=CC=C3)(O)O	IC50 > 1000000 nM	Non binder
T61746	Cathepsin B	BW51QJ	(S)-N1-(2-Benzylcarbamoyl-1-methyl-2-oxoethyl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethylsuccinamide	Investigative	9915812	C29H45N5O6	559.7	CC(C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BX9AT8	4-Bromo-N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide	Investigative	71612904	C22H27BrN4O3	475.4	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2=CC=C(C=C2)Br	Ki = 261000 nM	Non binder
T61746	Cathepsin B	BXOA43	Cbz-l-phenylalanyl-l-arginine amide	Investigative	20828112	C23H30N6O4	454.5	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)OCC2=CC=CC=C2	Ki = 349000 nM	Non binder
T61746	Cathepsin B	BXT93U	Ridaura	Investigative	70788951	C20H35AuO9PS	679.5	CC[PH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au]	IC50 = 250000 nM	Non binder
T61746	Cathepsin B	BY39BC	Cbz-Phe-[Gly-trans epoxy-Gly]-Ala-AlaOMe	Investigative	44580453	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 = 244000 nM	Non binder
T61746	Cathepsin B	BY42AX	(R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid benzyl ester	Investigative	73356107	C38H56N6O12	788.9	CCC[C@H](C(=O)OCC1=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 > 1000000 nM	Non binder
T61746	Cathepsin B	BY81PJ	(S)-N1-(1-(Benzo[d]oxazol-2-yl)-1-oxopropan-2-yl)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethylsuccinamide	Investigative	10506703	C28H41N5O6	543.7	CC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	IC50 > 300000 nM	Non binder
T61746	Cathepsin B	BY9RM0	Cbz-Phe-Gly-epoxide	Investigative	44580455	C20H22N2O4	354.4	C1C(O1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	Ki = 1018000 nM	Non binder
T61746	Cathepsin B	BZ24RN	(1R,21S,24S)-21-Tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide	Investigative	46228924	C38H53N5O9S	755.9	CC1(CCCCC2=C3CN(CC3=CC=C2)C(=O)O[C@@H]4C[C@H](N(C4)C(=O)[C@@H](NC(=O)OC1)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6CC6)C	IC50 > 10000000 nM	Non binder
T61746	Cathepsin B	D07FLG	dibutyl phthalate	Investigative	3026	C16H22O4	278.34	CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	IC50 = 420000 nM	Non binder