TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T40000	Tissue kallikrein	B28LHJ	(17S,20R)-20-(Benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,10,19-trioxo-2,5,8,11,18-pentazatetracyclo[20.2.2.25,8.212,15]triaconta-1(25),12,14,22(26),23,27-hexaene-17-carboxamide;2,2,2-trifluoroacetic acid	Investigative	71720404	C43H48F3N9O8S	908	C1CN2CCN1CC(=O)NC3=CC=C(C[C@H](C(=O)N[C@@H](CC4=CC=C(C=C4)NC(=O)C2)C(=O)NCC5=CC=C(C=C5)C(=N)N)NS(=O)(=O)CC6=CC=CC=C6)C=C3.C(=O)(C(F)(F)F)O	Ki ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	B2H8JQ	1-Phenyl-2-(5-carboxybenzoxazole-2-ylthiomethyl)-5-(pivaloyloxy)-1,4-dihydropyridine-4-one	Investigative	72793778	C25H22N2O6S	478.5	CC(C)(C)C(=O)OC1=CN(C(=CC1=O)CSC2=NC3=C(O2)C=CC(=C3)C(=O)O)C4=CC=CC=C4	IC50 ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	B4DF3A	N-[(2R)-3-(3-Aminopropylsulfanyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide	Investigative	12047383	C24H39FN4O3S2	514.7	CC1(CC2=C(C(=CC=C2)S(=O)(=O)N[C@@H](CSCCCN)C(=O)N3CCC(CC3)CCF)NC1)C	Ki = 87000 nM	Poor binder
T40000	Tissue kallikrein	B4EKB2	N-[(2R)-1-[[2-[[1-[4-(Diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]morpholine-4-carboxamide	Investigative	44333945	C24H34F3N7O5	557.6	CC(C)(C)[C@H](C(=O)NCC(=O)NC(CC1=CC=C(C=C1)N=C(N)N)C(=O)C(F)(F)F)NC(=O)N2CCOCC2	Ki ~ 150000 nM	Poor binder
T40000	Tissue kallikrein	B4UJA1	(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(1R,7S,10S,13S,16S,22S,25S,28S,40R,43S,46S,49S,52S,58S,61S)-40-Acetamido-43,52-bis(2-amino-2-oxoethyl)-13-(carboxymethyl)-46-[(1R)-1-hydroxyethyl]-10,49,61-tris(1H-indol-3-ylmethyl)-16-methyl-25-(2-methylpropyl)-2,8,11,14,17,23,26,41,44,47,50,53,59,62-tetradecaoxo-30,38,65-trithia-3,9,12,15,18,24,27,42,45,48,51,54,60,63-tetradecazahexacyclo[32.29.3.132,36.03,7.018,22.054,58]heptahexaconta-32,34,36(67)-triene-28-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid	Investigative	137637214	C117H160N32O28S3	2558.9	C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](CSCC3=CC4=CC(=C3)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@@H](CSC4)C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)CC7=CNC8=CC=CC=C87)CC9=CNC1=CC=CC=C19)CC(=O)N)CC1=CNC2=CC=CC=C21)[C@@H](C)O)CC(=O)N)NC(=O)C)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)CC(C)C	Ki ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	B6PSY3	4-(4-Guanidinobenzoyloxy)phenylacetic acid	Investigative	130394	C17H19N3O7S	409.4	CS(=O)(=O)O.C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N	IC50 ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	B8TOS5	N-[(2R)-3-(3-Aminopropylsulfanyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide	Investigative	12047384	C24H40N4O4S2	512.7	CC1(CC2=C(C(=CC=C2)S(=O)(=O)N[C@@H](CSCCCN)C(=O)N3CCC(CC3)CCO)NC1)C	Ki = 87000 nM	Poor binder
T40000	Tissue kallikrein	B9M6XN	{1-[1-(4-Amino-1-formyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester	Investigative	14488978	C24H38N4O5	462.6	CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C=O)NC(=O)OCC1=CC=CC=C1	IC50 = 53800 nM	Poor binder
T40000	Tissue kallikrein	BA95HB	(2S)-1-[(2R)-2-Amino-3,3-diphenylpropanoyl]-N-[1-(diaminomethylideneamino)-5,8-dioxo-8-piperidin-1-yloctan-4-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid	Investigative	49859964	C38H49F6N7O8	845.8	C1CCN(CC1)C(=O)CCC(=O)C(CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C3=CC=CC=C3)C4=CC=CC=C4)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O	Ki = 199000 nM	Poor binder
T40000	Tissue kallikrein	BATK82	2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide	Investigative	134151146	C32H42N2O6	550.7	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)OC	IC50 = 125000 nM	Poor binder
T40000	Tissue kallikrein	BB7C6R	(S)-1-(9-Hydroxy-9H-3-aza-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide	Investigative	11317532	C26H25ClN4O3	477	C1C[C@H](N(C1)C(=O)C2(C3=C(C=NC=C3)C4=CC=CC=C42)O)C(=O)NCC5=C(C=CC(=C5)Cl)CN	Ki ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	BBID85	1-Adamantyl N-[(2R)-1-[[(1S)-2-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-naphthalen-2-yl-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate	Investigative	44333957	C40H47F3N6O5	748.8	CC(C)(C)[C@H](C(=O)N[C@@H](C1=CC2=CC=CC=C2C=C1)C(=O)NC(CC3=CC=C(C=C3)N=C(N)N)C(=O)C(F)(F)F)NC(=O)OC45CC6CC(C4)CC(C6)C5	Ki ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	BG8FM0	1-{2-[(4-Chlorophenyl)amino]-2-oxoethyl}-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide	Investigative	6540268	C25H29ClN4O2	453	CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl	Ki ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	BGX91W	N-[3-(1,3-Benzothiazol-2-yl)-1-(4-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide	Investigative	44287043	C28H36N4O3S2	540.7	CCC1CCN(CC1)C(=O)C(CC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC5=C4NCC(C5)(C)C	Ki = 92000 nM	Poor binder
T40000	Tissue kallikrein	BHAG94	(7R,10S,13S,21S,24S,27S,30S,33S,36S,39S,42S,45R)-7-Acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-39-(carboxymethyl)-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-triene-45-carboxylic acid	Investigative	137654508	C76H105N19O19S3	1685	C[C@H]1CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSC3)C(=O)N1)CCCCNC(=N)N)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)CO)NC(=O)C)C(=O)O)CC(C)C)CC(=O)O)CCC(=O)N)CC7=CN=CN7	Ki ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	BJ3RV5	1H-Indole-1-acetamide,N-(5-chloro-2-pyridinyl)-2-[[[1-(1-methylethyl)-4-piperidinyl]amino]carbonyl]-	Investigative	10095455	C24H28ClN5O2	454	CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC(=O)NC4=NC=C(C=C4)Cl	Ki ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	BK15SU	{1-[1-(4-Amino-1-formyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester	Investigative	14488974	C28H38N4O5	510.6	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN)C=O)NC(=O)OCC2=CC=CC=C2	IC50 = 82400 nM	Poor binder
T40000	Tissue kallikrein	BLZX12	2-(Benzothiazole-2-ylthiomethyl)-5-(pivaloyloxy)-4H-pyran-4-one	Investigative	72793747	C18H17NO4S2	375.5	CC(C)(C)C(=O)OC1=COC(=CC1=O)CSC2=NC3=CC=CC=C3S2	IC50 ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	BM0XI7	2-(5-Carboxybenzoxazole-2-ylthiomethyl)-5-(pivaloyloxy)-4H-pyran-4-one	Investigative	72793776	C19H17NO7S	403.4	CC(C)(C)C(=O)OC1=COC(=CC1=O)CSC2=NC3=C(O2)C=CC(=C3)C(=O)O	IC50 ~ 50000 nM	Poor binder
T40000	Tissue kallikrein	BMX70R	2-[[(E)-3-[4-(4-Carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-prop-2-enylamino]acetic acid;methanesulfonic acid	Investigative	44318819	C24H27N3O8S	517.6	C/C(=C\\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N(CC=C)CC(=O)O.CS(=O)(=O)O	IC50 ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	BP4T6S	Methyl N-[3-[(2S)-1-[(2R)-2-(3-carbamoylanilino)-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate	Investigative	134147357	C32H38N4O8S	638.7	CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)OC)[C@@H]2CCCN2C(=O)[C@@H](C3=CC(=C(C=C3)OC)OC)NC4=CC=CC(=C4)C(=O)N	Ki ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	BPC7D8	2-Carboxyindole 17	Investigative	20801160	C26H28ClN3OS	466	CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC5=C(S4)C=C(C=C5)Cl	Ki ~ 100000 nM	Poor binder
T40000	Tissue kallikrein	BQT87G	1-Adamantyl N-[(2R)-1-[[(2S)-1-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate	Investigative	44334001	C36H45F3N6O5	698.8	CC(C)[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)N=C(N)N)C(=O)C(F)(F)F)NC(=O)OC34CC5CC(C3)CC(C5)C4	Ki = 191000 nM	Poor binder
T40000	Tissue kallikrein	BWCN26	(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(7R,10S,13S,16S,22S,25S,28S,31R,34S,37S,45S,48S,51R)-51-Acetamido-45-benzyl-10-[(2S)-butan-2-yl]-34-(4-carbamimidamidobutyl)-13-(carboxymethyl)-48-(hydroxymethyl)-22,25,37-tris[(4-hydroxyphenyl)methyl]-9,12,15,21,24,27,30,33,36,39,44,47,50-tridecaoxo-28-propan-2-yl-5,53,58-trithia-8,11,14,20,23,26,29,32,35,38,43,46,49-tridecazapentacyclo[29.25.3.13,55.016,20.040,43]hexaconta-1(56),2,55(60)-triene-7-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid	Investigative	137639385	C114H161N29O28S3	2481.9	CC[C@H](C)[C@H]1C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N1)CC(=O)O)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)C(C)C)CCCCNC(=N)N)CC8=CC=C(C=C8)O)CC9=CC=CC=C9)CO)NC(=O)C)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	Ki = 50000 nM	Poor binder