TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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
T79155	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