BDBM14599 CHEMBL333980::N-[(4-carbamimidoylphenyl)methyl]-2-[2-methoxy-6-phenyl-3-(propan-2-ylamino)phenyl]acetamide::N-{4-[Amino(imino)methyl]benzyl}-2-[4-(isopropylamino)-3-methoxy-1,1-biphenyl-2-yl]acetamide::Substituted Benzene Analog 50e

SMILES: COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=YVHLXJWWXOTYST-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 14599   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor VII (Homo sapiens (Human))	BDBM14599 (CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+4	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: 4297-312 (2003) Article DOI: 10.1021/jm030233b BindingDB Entry DOI: 10.7270/Q2B27SJR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14599 (CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90E+3	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: 4297-312 (2003) Article DOI: 10.1021/jm030233b BindingDB Entry DOI: 10.7270/Q2B27SJR
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14599 (CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tissue coagulation factor VII				Bioorg Med Chem Lett 13: 3721-5 (2003) BindingDB Entry DOI: 10.7270/Q2QR4WJ5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14599 (CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity of the compound against coagulation factor X				Bioorg Med Chem Lett 13: 3721-5 (2003) BindingDB Entry DOI: 10.7270/Q2QR4WJ5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14599 (CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity of the compound against thrombin				Bioorg Med Chem Lett 13: 3721-5 (2003) BindingDB Entry DOI: 10.7270/Q2QR4WJ5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14599 (CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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: 4297-312 (2003) Article DOI: 10.1021/jm030233b BindingDB Entry DOI: 10.7270/Q2B27SJR
					More data for this Ligand-Target Pair