TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T82739	Plasma kallikrein	D0I7OF	Hexamethylene amiloride	Preclinical	1794	C12H18ClN7O	311.77	C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B1PMC4	Chembl4217043	Investigative	135393474	C17H23N9O2	385.4	COC1=NC=C(C=N1)C2=C(N=C(C(=N2)C(=O)N=C(N)N)N)N3CCCCCC3	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B1Y2TO	3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2,2,5,7,8-pentamethyl-chroman-6-sulfonylamino)-propyl]-benzamidine	Investigative	44335624	C29H41N5O6S2	619.8	CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N[C@H](CC3=CC(=CC=C3)C(=N)N)C(=O)N4CCN(CC4)S(=O)(=O)C)C	Ki = 97000 nM	Poor binder
T82739	Plasma kallikrein	B2C1NS	(3S)-N-[1-[[(2R)-Butan-2-yl]amino]-1,2-dioxohexan-3-yl]-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide	Investigative	44394249	C37H57N7O6	695.9	CCCC(C(=O)C(=O)N[C@H](C)CC)NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)C4=NC=CN=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B2SWN5	8-Methoxy-2-oxo-N-phenylchromene-3-carboxamide	Investigative	754821	C17H13NO4	295.29	COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B2TF5I	6,8-Dichloro-2-oxo-N-phenyl-2H-chromene-3-carboxamide	Investigative	741761	C16H9Cl2NO3	334.1	C1=CC=C(C=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B2W7OY	3-Carboxamide-coumarin deriv., 43	Investigative	24860449	C18H13Cl2NO3	362.2	CC1=CC(=CC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl)C	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B3CS2P	3-Carboxamide-coumarin deriv., 46	Investigative	24860451	C18H13BrClNO3	406.7	CC1=CC(=CC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Cl)C	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B3RU1J	US8598206, Table 6, 19	Investigative	53345652	C35H46N6O4S	646.8	C1CNCCC1CC[C@@H](C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)[C@@H](CCCC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B40BNZ	N-[(6-Amino-2,4-dimethylpyridin-3-yl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide	Investigative	66723765	C19H22N6O	350.4	CC1=CC(=NC(=C1CNC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)C)C)N	IC50 = 52100 nM	Poor binder
T82739	Plasma kallikrein	B54HQZ	US8598206, Table 6, 8	Investigative	53346082	C36H53N7O5S	695.9	CCC(=O)N1CCC(CC1)CC[C@H](C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 60000 nM	Poor binder
T82739	Plasma kallikrein	B5BL3Q	(1E,6E)-4-(1,3-Dithian-2-ylidene)-1,7-bis(furan-2-yl)hepta-1,6-diene-3,5-dione	Investigative	1269450	C19H16O4S2	372.5	C1CSC(=C(C(=O)/C=C/C2=CC=CO2)C(=O)/C=C/C3=CC=CO3)SC1	IC50 = 67400 nM	Poor binder
T82739	Plasma kallikrein	B5G0QS	Chembl365415	Investigative	15955412	C34H51N7O6	653.8	CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2C3CCCC3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C4=NC=CN=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B5J9FW	2-(2-{2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-3,3-difluoro-propyl)-amide	Investigative	3011892	C35H49F2N7O6	701.8	CC(C)(C)[C@@H](C(=O)N1CC2CCCC2[C@H]1C(=O)NC(CC(F)F)C(=O)C(=O)NC3CC3)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B63QFD	(S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid 5-chloro-2-cyclopropylcarbamoylmethoxy-benzylamide	Investigative	10529121	C25H35ClN4O4	491	C1CCC(CC1)[C@H](C(=O)N2CCC[C@H]2C(=O)NCC3=C(C=CC(=C3)Cl)OCC(=O)NC4CC4)N	Ki = 79000 nM	Poor binder
T82739	Plasma kallikrein	B68OWC	US8598206, Table 6, 7	Investigative	53345968	C37H53N7O5S	707.9	C1CC1C(=O)N2CCC(CC2)CC[C@H](C(=O)N[C@@H](CCC3CCNCC3)C(=O)NCC4=CC=C(C=C4)C(=N)N)NS(=O)(=O)CC5=CC=CC=C5	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	B6J8HV	N-[(6-Amino-2,4-dimethylpyridin-3-yl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide	Investigative	58081313	C22H26N4O3S	426.5	CC1=CC(=NC(=C1CNC(=O)C2=C(N(C(=C2C)C)S(=O)(=O)C3=CC=CC=C3)C)C)N	IC50 ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	B6MN7T	2-Chloro-5-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoic acid	Investigative	44415189	C21H12Cl2N2O5	443.2	C1=CC(=CC=C1C2=CC=C(O2)/C=C\\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)Cl	IC50 = 75000 nM	Poor binder
T82739	Plasma kallikrein	B7IKZ8	(12E)-19-Amino-21-methyl-6-(pyrazol-1-ylmethyl)-9,16-dioxa-1,18,24,28-tetrazatetracyclo[24.2.1.03,8.017,22]nonacosa-3(8),4,6,12,17(22),18,20,26(29),27-nonaen-25-one	Investigative	134131498	C28H31N7O3	513.6	CC1=CC(=NC2=C1CNC(=O)C3=CN(CC4=C(C=C(C=C4)CN5C=CC=N5)OCC/C=C/CCO2)N=C3)N	IC50 = 53200 nM	Poor binder
T82739	Plasma kallikrein	B8PY5V	(5Z)-5-[(2,4-Dihydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one	Investigative	7028541	C10H8N2O3S	236.25	C1=CC(=C(C=C1O)O)/C=C\\2/C(=O)NC(=S)N2	IC50 = 120100 nM	Poor binder
T82739	Plasma kallikrein	B9XML2	US8598206, Table 6, 24	Investigative	53346081	C36H53N7O6S	711.9	COC(=O)N1CCC(CC1)CCC[C@H](C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	BCD5M4	N-[[6-Amino-4-(difluoromethoxy)-2-methylpyridin-3-yl]methyl]-1-benzylpyrazole-4-carboxamide	Investigative	58081224	C19H19F2N5O2	387.4	CC1=C(C(=CC(=N1)N)OC(F)F)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	BGUP15	N-[(6-Amino-4-methylpyridin-3-yl)methyl]-1-benzylpyrazole-4-carboxamide	Investigative	58081323	C18H19N5O	321.4	CC1=CC(=NC=C1CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)N	IC50 = 62700 nM	Poor binder
T82739	Plasma kallikrein	BHC30D	N-[(6-Aminopyridin-3-yl)methyl]-1-benzylpyrazole-4-carboxamide	Investigative	58081303	C17H17N5O	307.35	C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)NCC3=CN=C(C=C3)N	IC50 ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	BI97QF	Chembl2332610	Investigative	71716976	C64H93N17O16S3	1452.7	C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](CSC3)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N1)CCCN=C(N)N)NC(=O)[C@H](CO)N)C(=O)N[C@@H](CCCCN)C(=O)O)CC7=CC=C(C=C7)O	Ki ~ 120000 nM	Poor binder
T82739	Plasma kallikrein	BJ28MD	[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid	Investigative	767161	C14H15NO2	229.27	CC1=CC=C(N1C2=CC=C(C=C2)CC(=O)O)C	IC50 = 60500 nM	Poor binder
T82739	Plasma kallikrein	BJ8P6M	3-Carboxamide-coumarin deriv., 19	Investigative	24860432	C14H15NO3	245.27	CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC(C)C	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BJ98LI	N-[(2S)-6-Amino-1-[5-[[4-[2-(3,4-dichlorophenyl)ethoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]-1-oxohexan-2-yl]-3,4-difluorobenzamide;hydrochloride	Investigative	45263389	C30H29Cl3F2N4O4	653.9	C1=CC(=CC=C1CC2=NC(=NO2)C(=O)[C@H](CCCCN)NC(=O)C3=CC(=C(C=C3)F)F)OCCC4=CC(=C(C=C4)Cl)Cl.Cl	Ki = 83000 nM	Poor binder
T82739	Plasma kallikrein	BJR62Y	3-Oxo-N-phenyl-3H-benzo[f]chromene-2-carboxamide	Investigative	3123858	C20H13NO3	315.3	C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BKDI19	Chembl364471	Investigative	73347119	C34H51N7O6	653.8	CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2C3CCCC3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C4=NC=CN=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BL0O2Q	N-Butyl-3-[[4-(diaminomethylideneamino)phenyl]methylamino]imidazo[1,2-a]pyridine-7-carboxamide	Investigative	127041472	C20H25N7O	379.5	CCCCNC(=O)C1=CC2=NC=C(N2C=C1)NCC3=CC=C(C=C3)N=C(N)N	IC50 ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	BL7R2B	3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine	Investigative	10816339	C25H29N5O5S2	543.7	CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki = 58000 nM	Poor binder
T82739	Plasma kallikrein	BM6ND8	Chembl2332604	Investigative	71716975	C59H82N16O15S3	1351.6	C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](CSC3)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N1)CCCN=C(N)N)NC(=O)CN)C(=O)NCC(=O)O)CC7=CC=C(C=C7)O	Ki ~ 120000 nM	Poor binder
T82739	Plasma kallikrein	BNT4U5	3-Carboxamide-coumarin deriv., 20	Investigative	10423722	C17H13NO3	279.29	CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BO28NS	(S)-5-Guanidino-2-[[N-(N-acetyl-L-isoleucyl)-L-leucyl]amino]pentanal	Investigative	10455169	C20H38N6O4	426.6	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C	IC50 = 54000 nM	Poor binder
T82739	Plasma kallikrein	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 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BR2JP5	(3S,3As,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide	Investigative	3088969	C36H53N7O6	679.8	CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BR4HV3	US8598206, Table 6, 2	Investigative	53345653	C34H45N7O4S	647.8	C1CNCCC1CC[C@@H](C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)[C@@H](CCCC3=CC=NC=C3)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 80000 nM	Poor binder
T82739	Plasma kallikrein	BR7N9G	Chembl184525	Investigative	73350210	C33H49N7O7	655.8	CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2C3CCCC3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H]([C@@H](C)OC)NC(=O)C4=NC=CN=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BS9F1N	7-Hydroxy-2-oxo-N-phenyl-2H-1-benzopyran-3-carboxamide	Investigative	5400404	C16H11NO4	281.26	C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BSG67H	US8598206, Table 6, 11	Investigative	53345862	C36H53N7O6S	711.9	COCC(=O)N1CCC(CC1)CC[C@H](C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	BT7NC5	US8598206, Table 6, 10	Investigative	53346181	C33H49N7O4S	639.9	C1CNCCC1CC[C@@H](C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)[C@@H](CCC3CCNCC3)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	BV2GX4	(3S,3As,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide	Investigative	10461790	C33H49N7O6	639.8	CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)C4=NC=CN=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BV5CX6	7-Diethylamino-3-phenylcarbamoylcoumarin	Investigative	747662	C20H20N2O3	336.4	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BW27LG	(2S)-N-[(4-Aminocyclohexyl)methyl]-1-(3,3-dicyclohexylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride	Investigative	45261772	C27H48ClN3O2	482.1	C1CCC(CC1)C(CC(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N)C4CCCCC4.Cl	Ki = 170000 nM	Poor binder
T82739	Plasma kallikrein	BX35KM	4-(5-{(Z)-[1-(4-Chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-furyl)benzoic acid	Investigative	5348879	C21H13ClN2O5	408.8	C1=CC(=CC=C1C2=CC=C(O2)/C=C\\3/C(=O)NN(C3=O)C4=CC=C(C=C4)Cl)C(=O)O	IC50 = 96200 nM	Poor binder
T82739	Plasma kallikrein	BX3VE6	N-[(6-Amino-2,4-dimethylpyridin-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)triazole-4-carboxamide	Investigative	58081362	C16H18N8O	338.37	CC1=CC(=NC(=C1CNC(=O)C2=CN(N=N2)CC3=NC=CC=N3)C)N	IC50 = 67300 nM	Poor binder
T82739	Plasma kallikrein	BX94ST	US8598206, Table 6, 6	Investigative	53346079	C34H51N7O4S	653.9	C1CNCCC1CCC[C@H](C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BXU06V	2-Chloro-5-[4-(4-isopropylbenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid	Investigative	5430316	C21H19ClN2O3	382.8	CC\\1=NN(C(=O)/C1=C\\C2=CC=C(C=C2)C(C)C)C3=CC(=C(C=C3)Cl)C(=O)O	IC50 = 54200 nM	Poor binder
T82739	Plasma kallikrein	BYSM86	7-Methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide	Investigative	3162843	C17H13NO4	295.29	COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T82739	Plasma kallikrein	BZ10SW	N-[(6-Amino-2,4-dimethylpyridin-3-yl)methyl]-1-benzyl-2-methylpyrrole-3-carboxamide	Investigative	58081350	C21H24N4O	348.4	CC1=CC(=NC(=C1CNC(=O)C2=C(N(C=C2)CC3=CC=CC=C3)C)C)N	IC50 = 85800 nM	Poor binder
T82739	Plasma kallikrein	BZNB96	(2S)-2-[[(2R)-2-(Benzylsulfonylamino)-4-(1-oxidopyridin-1-ium-4-yl)butanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-piperidin-4-ylbutanamide	Investigative	53345753	C33H43N7O5S	649.8	C1CNCCC1CC[C@@H](C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)[C@@H](CCC3=CC=[N+](C=C3)[O-])NS(=O)(=O)CC4=CC=CC=C4	Ki ~ 100000 nM	Poor binder
T82739	Plasma kallikrein	D0J5VK	NSC-622445	Investigative	67145	C15H12O6	288.25	C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O	IC50 = 67900 nM	Poor binder