TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T57361	Kallikrein 5	B1HTI8	N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide	Investigative	70695325	C28H27N3O5	485.5	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5	Ki = 200000 nM	Poor binder
T57361	Kallikrein 7	B1HTI8	N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide	Investigative	70695325	C28H27N3O5	485.5	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5	Ki = 75100 nM	Poor binder
T57361	Kallikrein 6	B27DIE	Chembl4202434	Investigative	134405671	C25H26N4O3	430.5	CC1=C(C2=CC=CC=C2N1)CCC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 = 58000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 5	B2L0YF	N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide	Investigative	70691122	C27H26N2O6	474.5	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CC=CO4)/NC(=O)C5=CC=CC=C5	Ki = 70400 nM	Poor binder
T57361	Kallikrein 7	B31WAO	Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate	Investigative	76332053	C28H36N2O7	512.6	CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4	IC50 = 84500 nM	Poor binder
T57361	Kallikrein 5	B31WAO	Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate	Investigative	76332053	C28H36N2O7	512.6	CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4	IC50 = 53900 nM	Poor binder
T57361	Kallikrein 7	B34CMB	2-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino)-2-oxoethyl 2-(2-methyl-1H-indol-3-yl)acetate	Investigative	38335241	C24H24N4O3	416.5	CC1=C(C2=CC=CC=C2N1)CC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 = 73000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 5	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
T57361	Kallikrein 1	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
T57361	Kallikrein 2	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
T57361	Kallikrein 14	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
T57361	Kallikrein 6	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
T57361	Kallikrein 13	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
T57361	Kallikrein 12	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
T57361	Kallikrein 5	B56NTY	(Z)-2-Cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide	Investigative	869194	C18H16N2O4	324.3	CCOC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)O)O	Ki = 107000 nM	Poor binder
T57361	Kallikrein 14	B56NTY	(Z)-2-Cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide	Investigative	869194	C18H16N2O4	324.3	CCOC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)O)O	IC50 = 101000 nM	Poor binder
T57361	Kallikrein 7	B56NTY	(Z)-2-Cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide	Investigative	869194	C18H16N2O4	324.3	CCOC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)O)O	Ki = 75000 nM	Poor binder
T57361	Kallikrein 14	B6BG3L	(E)-3-[3-[(4-Chlorophenoxy)methyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one	Investigative	5729350	C23H19ClO4	394.8	COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O)COC3=CC=C(C=C3)Cl	IC50 = 122000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 14	B6U3TQ	4-[4-(4-Hydroxy-phenyl)-phthalazin-1-ylamino]-N-methyl-benzamide	Investigative	2931274	C22H18N4O2	370.4	CNC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)O	IC50 = 96000 nM	Poor binder
T57361	Kallikrein 7	B6U3TQ	4-[4-(4-Hydroxy-phenyl)-phthalazin-1-ylamino]-N-methyl-benzamide	Investigative	2931274	C22H18N4O2	370.4	CNC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)O	Ki = 50000 nM	Poor binder
T57361	Kallikrein 7	B72BYU	(13S)-13-Benzyl-11-(4-methoxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	57381839	C24H20N4O2	396.4	COC1=CC=C(C=C1)C2=N[C@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5	IC50 = 72000 nM	Poor binder
T57361	Kallikrein 4	B7AQZ3	9-(3,5-Difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile	Investigative	44143091	C14H10F2N6	300.27	CCNC1=C2C(=NC(=N1)C#N)N(C=N2)C3=CC(=CC(=C3)F)F	IC50 = 177827.94 nM	Poor binder
T57361	Kallikrein 6	B7CEB5	Chembl4211470	Investigative	16289649	C23H21N5O4	431.4	CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O	IC50 = 170000 nM	Poor binder
T57361	Kallikrein 7	B7O0MN	(13S)-13-Benzyl-11-(2,4-dimethylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	118730840	C25H22N4O	394.5	CC1=CC(=C(C=C1)C2=N[C@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5)C	IC50 = 83900 nM	Poor binder
T57361	Kallikrein 7	B83FJM	Vioxanthin	Investigative	119072	C30H26O10	546.5	C[C@@H]1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(C[C@H](OC6=O)C)C=C5C=C4OC)O)O)OC)O)C(=O)O1	IC50 = 135300 nM	Poor binder
T57361	Kallikrein 5	B83FJM	Vioxanthin	Investigative	119072	C30H26O10	546.5	C[C@@H]1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(C[C@H](OC6=O)C)C=C5C=C4OC)O)O)OC)O)C(=O)O1	IC50 = 53700 nM	Poor binder
T57361	Kallikrein 5	B8E4KZ	Benzyl (2S)-2-[[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate	Investigative	76317475	C35H39N3O7	613.7	C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H]4CO[C@H]5[C@@H]4OC[C@H]5OCC6=CC=CC=C6	IC50 = 157400 nM	Poor binder
T57361	Kallikrein 5	B8HRY5	(2Z)-2-Benzimidazol-2-yl-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]p rop-2-enenitrile	Investigative	5739522	C23H22N4O4	418.4	COC1=C(C=CC(=C1)/C=C(/C#N)\\C2=NC3=CC=CC=C3N2)OCC(=O)N4CCOCC4	Ki = 121000 nM	Poor binder
T57361	Kallikrein 14	B8HRY5	(2Z)-2-Benzimidazol-2-yl-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]p rop-2-enenitrile	Investigative	5739522	C23H22N4O4	418.4	COC1=C(C=CC(=C1)/C=C(/C#N)\\C2=NC3=CC=CC=C3N2)OCC(=O)N4CCOCC4	IC50 = 108000 nM	Poor binder
T57361	Kallikrein 7	B8HRY5	(2Z)-2-Benzimidazol-2-yl-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]p rop-2-enenitrile	Investigative	5739522	C23H22N4O4	418.4	COC1=C(C=CC(=C1)/C=C(/C#N)\\C2=NC3=CC=CC=C3N2)OCC(=O)N4CCOCC4	Ki = 55000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 7	B9PKD7	(13R)-13-Benzyl-11-(2-methylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	118730839	C24H20N4O	380.4	CC1=CC=CC=C1C2=N[C@@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5	IC50 = 95900 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 7	BB6P4N	(Z)-N-[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-acetamido-3-thiophen-2-ylprop-2-enamide	Investigative	70695326	C22H24N2O5S	428.5	CC(=O)N/C(=C\\C1=CC=CS1)/C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4	Ki = 77400 nM	Poor binder
T57361	Kallikrein 5	BB6P4N	(Z)-N-[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-acetamido-3-thiophen-2-ylprop-2-enamide	Investigative	70695326	C22H24N2O5S	428.5	CC(=O)N/C(=C\\C1=CC=CS1)/C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4	Ki = 71900 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 5	BDIY94	(Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide	Investigative	2262135	C18H16N2O4	324.3	COC1=CC=C(C=C1)NC(=O)/C(=C\\C2=CC(=C(C=C2)O)OC)/C#N	Ki = 100000 nM	Poor binder
T57361	Kallikrein 14	BDIY94	(Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide	Investigative	2262135	C18H16N2O4	324.3	COC1=CC=C(C=C1)NC(=O)/C(=C\\C2=CC(=C(C=C2)O)OC)/C#N	IC50 = 99000 nM	Poor binder
T57361	Kallikrein 7	BDIY94	(Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide	Investigative	2262135	C18H16N2O4	324.3	COC1=CC=C(C=C1)NC(=O)/C(=C\\C2=CC(=C(C=C2)O)OC)/C#N	Ki = 72000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 14	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
T57361	Kallikrein 5	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
T57361	Kallikrein 6	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
T57361	Kallikrein 13	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
T57361	Kallikrein 12	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
T57361	Kallikrein 7	BI18PF	(13S)-13-Benzyl-11-(2,5-dimethoxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	118730843	C25H22N4O3	426.5	COC1=CC(=C(C=C1)OC)C2=N[C@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5	IC50 = 80900 nM	Poor binder
T57361	Kallikrein 5	BIL7N8	(2Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide	Investigative	725447	C17H14N2O4	310.3	COC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)O)O	Ki = 112000 nM	Poor binder
T57361	Kallikrein 14	BIL7N8	(2Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide	Investigative	725447	C17H14N2O4	310.3	COC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)O)O	IC50 = 106000 nM	Poor binder
T57361	Kallikrein 7	BIL7N8	(2Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide	Investigative	725447	C17H14N2O4	310.3	COC1=C(C=CC(=C1)/C=C(/C#N)\\C(=O)NC2=CC=C(C=C2)O)O	Ki = 70000 nM	Poor binder
T57361	Kallikrein 6	BIQ0W1	Chembl4202971	Investigative	145977988	C25H26N4O3	430.5	CC1=C(C2=CC=CC=C2N1)CC(=O)OCCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 = 110000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 7	BJE2V8	(13S)-13-Benzyl-11-(3-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	118730854	C23H18N4O2	382.4	C1=CC=C(C=C1)C[C@H]2C(=O)C3=C(NC(=N2)C4=CC(=CC=C4)O)N=C5N3C=CC=C5	IC50 = 124800 nM	Poor binder
T57361	Kallikrein 7	BJN82G	8,8'-Paepalantine dimer	Investigative	5473234	C32H26O12	602.5	CC1=CC2=C(C3=CC(=C(C(=C3C(=C2C(=O)O1)O)O)C4=C(C=C5C(=C4O)C(=C6C(=C5OC)C=C(OC6=O)C)O)OC)OC)OC	IC50 = 112400 nM	Poor binder
T57361	Kallikrein 5	BJN82G	8,8'-Paepalantine dimer	Investigative	5473234	C32H26O12	602.5	CC1=CC2=C(C3=CC(=C(C(=C3C(=C2C(=O)O1)O)O)C4=C(C=C5C(=C4O)C(=C6C(=C5OC)C=C(OC6=O)C)O)OC)OC)OC	IC50 = 72900 nM	Poor binder
T57361	Kallikrein 14	BJQ0O8	2-(4-{(1Z)-2-Cyano-2-[N-(3-ethoxyphenyl)carbamoyl]vinyl}-2-methoxyphenoxy)acet ic acid	Investigative	2208579	C21H20N2O6	396.4	CCOC1=CC=CC(=C1)NC(=O)/C(=C\\C2=CC(=C(C=C2)OCC(=O)O)OC)/C#N	IC50 = 87000 nM	Poor binder
T57361	Kallikrein 7	BJQ0O8	2-(4-{(1Z)-2-Cyano-2-[N-(3-ethoxyphenyl)carbamoyl]vinyl}-2-methoxyphenoxy)acet ic acid	Investigative	2208579	C21H20N2O6	396.4	CCOC1=CC=CC(=C1)NC(=O)/C(=C\\C2=CC(=C(C=C2)OCC(=O)O)OC)/C#N	Ki = 95000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 1	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
T57361	Kallikrein 5	BN9O6A	(5E)-5-(3,4-Dimethoxybenzylidene)-3-{[(5-fluoro-2-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione	Investigative	2262990	C20H19FN2O4S	402.4	CC1=C(C=C(C=C1)F)NCN2C(=O)/C(=C\\C3=CC(=C(C=C3)OC)OC)/SC2=O	Ki = 95000 nM	Poor binder
T57361	Kallikrein 14	BN9O6A	(5E)-5-(3,4-Dimethoxybenzylidene)-3-{[(5-fluoro-2-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione	Investigative	2262990	C20H19FN2O4S	402.4	CC1=C(C=C(C=C1)F)NCN2C(=O)/C(=C\\C3=CC(=C(C=C3)OC)OC)/SC2=O	IC50 = 112000 nM	Poor binder
T57361	Kallikrein 7	BN9O6A	(5E)-5-(3,4-Dimethoxybenzylidene)-3-{[(5-fluoro-2-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione	Investigative	2262990	C20H19FN2O4S	402.4	CC1=C(C=C(C=C1)F)NCN2C(=O)/C(=C\\C3=CC(=C(C=C3)OC)OC)/SC2=O	Ki = 83000 nM	Poor binder
T57361	Kallikrein 7	BO26VE	N-[(2S)-1-(2-Aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide	Investigative	118730863	C24H22N4O2	398.5	CC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C3=C(N=C4N3C=CC=C4)N	IC50 = 135400 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 7	BP7O1U	[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate	Investigative	76310252	C29H34N2O7	522.6	CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5	IC50 = 59200 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 7	BPWF42	(13S)-13-Benzyl-11-(3,4,5-trimethoxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	118730845	C26H24N4O4	456.5	COC1=CC(=CC(=C1OC)OC)C2=N[C@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5	IC50 = 55700 nM	Poor binder
T57361	Kallikrein 5	BQB0L4	2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,49S)-19-(4-Aminobutyl)-49-(2-amino-2-oxoethyl)-4,28-bis[(2S)-butan-2-yl]-25-[3-(diaminomethylideneamino)propyl]-22-(hydroxymethyl)-34-(1H-indol-3-ylmethyl)-3,6,12,18,21,24,27,30,33,36,39,42,48,51-tetradecaoxo-53,54-dithia-2,5,11,17,20,23,26,29,32,35,38,41,47,50-tetradecazapentacyclo[29.20.4.07,11.013,17.043,47]pentapentacontan-40-yl]acetamide	Investigative	122192782	C69H105N21O17S2	1564.8	CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCCCN)CO)CCCN=C(N)N)[C@@H](C)CC)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC2=O)CC(=O)N)CC(=O)N)CC6=CNC7=CC=CC=C76	Ki ~ 50000 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 6	BSLX15	Chembl4213650	Investigative	145967253	C26H24N4O3	440.5	CC1=C(C2=C(C=CC=C2N1)C#C)CC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 ~ 50000 nM	Poor binder
T57361	Kallikrein 7	BV63EO	2-[[(3S,3Ar,6S,6aR)-6-[[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide	Investigative	134134113	C42H58N4O8	746.9	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N(C(=O)CC4=CC=C(C=C4)O)C(C)(C)C(=O)NC5CCCCC5)C(=O)CC6=CC=C(C=C6)O	IC50 = 133000 nM	Poor binder
T57361	Kallikrein 5	BVDG31	N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide	Investigative	70686944	C30H28N2O7	528.6	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/NC(=O)C6=CC=CC=C6	Ki = 357100 nM	Poor binder
T57361	Kallikrein 7	BVDG31	N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide	Investigative	70686944	C30H28N2O7	528.6	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/NC(=O)C6=CC=CC=C6	Ki = 80300 nM	Poor binder
T57361	Kallikrein 5	BW2P7F	Tert-butyl N-[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-1-oxopropan-2-yl]carbamate	Investigative	76310236	C31H38N4O8S	626.7	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5)NC(=O)OC(C)(C)C	IC50 = 156900 nM	Poor binder
T57361	Kallikrein 1	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
T57361	Kallikrein 6	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
T57361	Kallikrein 12	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
T57361	Kallikrein 7	BXBD56	Benzyl N-[(2S)-1-[[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate	Investigative	76335660	C35H41N3O7	615.7	CC(C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5	IC50 = 56600 nM	Poor binder
T57361	Kallikrein 7	BXCV42	(13S)-13-Benzyl-11-(4-methylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	57381616	C24H20N4O	380.4	CC1=CC=C(C=C1)C2=N[C@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5	IC50 = 68000 nM	Poor binder
T57361	Kallikrein 7	BY4MN6	2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide	Investigative	134143793	C31H39FN2O5	538.6	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)F	IC50 = 185000 nM	Poor binder
T57361	Kallikrein 7	BY9K8D	N-[(2S)-1-(2-Aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide	Investigative	118730865	C24H22N4O2	398.5	C1=CC=C(C=C1)C[C@@H](C(=O)C2=C(N=C3N2C=CC=C3)N)NC(=O)CC4=CC=CC=C4	IC50 = 149200 nM	Poor binder
T57361	Kallikrein 5	BYLX50	N-[(Z)-3-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide	Investigative	25258454	C27H26N2O5S	490.6	C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CC=CS4)/NC(=O)C5=CC=CC=C5	Ki = 70700 nM	Poor binder
T57361	Kallikrein 5	BYWJ62	N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide	Investigative	70693241	C27H26N2O5S	490.6	C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC3=CC=CC=C3)NC(=O)/C(=C/C4=CC=CS4)/NC(=O)C5=CC=CC=C5	Ki = 70700 nM	Poor binder
T57361	Kallikrein 7	BZR62C	(13S)-13-Benzyl-11-(2-methylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one	Investigative	57381618	C24H20N4O	380.4	CC1=CC=CC=C1C2=N[C@H](C(=O)C3=C(N2)N=C4N3C=CC=C4)CC5=CC=CC=C5	Ki = 50600 nM	Poor binder