Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 1846   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor VII (Homo sapiens (Human))	BDBM14497 (2-Pyridone 14b | N-[(4-carbamimidoylphenyl)methyl]...) Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C24H29N7O2/c1-14(2)30-20-7-8-21(17-9-18(25)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,25-26H2,1-2H3,(H3,27,28)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	8.0	22
Pharmacia Corporation					Assay Description Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...				J Med Chem 46: 4696-701 (2003) Article DOI: 10.1021/jm0301686 BindingDB Entry DOI: 10.7270/Q2KK992S
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14495 (2-Pyridone 14a | 3-amino-5-[1-({[(4-carbamimidoylp...) Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C25H28N6O4/c1-14(2)30-20-7-8-21(17-9-18(25(34)35)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,26H2,1-2H3,(H3,27,28)(H,29,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	8.0	22
Pharmacia Corporation					Assay Description Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...				J Med Chem 46: 4696-701 (2003) Article DOI: 10.1021/jm0301686 BindingDB Entry DOI: 10.7270/Q2KK992S
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14495 (2-Pyridone 14a | 3-amino-5-[1-({[(4-carbamimidoylp...) Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C25H28N6O4/c1-14(2)30-20-7-8-21(17-9-18(25(34)35)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,26H2,1-2H3,(H3,27,28)(H,29,32)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	22
Pharmacia Corporation					Assay Description Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...				J Med Chem 46: 4696-701 (2003) Article DOI: 10.1021/jm0301686 BindingDB Entry DOI: 10.7270/Q2KK992S
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14497 (2-Pyridone 14b | N-[(4-carbamimidoylphenyl)methyl]...) Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C24H29N7O2/c1-14(2)30-20-7-8-21(17-9-18(25)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,25-26H2,1-2H3,(H3,27,28)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	22
Pharmacia Corporation					Assay Description Human Factor Xa and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate wa...				J Med Chem 46: 4696-701 (2003) Article DOI: 10.1021/jm0301686 BindingDB Entry DOI: 10.7270/Q2KK992S
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14497 (2-Pyridone 14b | N-[(4-carbamimidoylphenyl)methyl]...) Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C24H29N7O2/c1-14(2)30-20-7-8-21(17-9-18(25)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,25-26H2,1-2H3,(H3,27,28)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	22
Pharmacia Corporation					Assay Description Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...				J Med Chem 46: 4696-701 (2003) Article DOI: 10.1021/jm0301686 BindingDB Entry DOI: 10.7270/Q2KK992S
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14495 (2-Pyridone 14a | 3-amino-5-[1-({[(4-carbamimidoylp...) Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C25H28N6O4/c1-14(2)30-20-7-8-21(17-9-18(25(34)35)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,26H2,1-2H3,(H3,27,28)(H,29,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	22
Pharmacia Corporation					Assay Description Human Factor Xa and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate wa...				J Med Chem 46: 4696-701 (2003) Article DOI: 10.1021/jm0301686 BindingDB Entry DOI: 10.7270/Q2KK992S
					More data for this Ligand-Target Pair