TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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
T11808	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