BDBM14601 CHEMBL125585::N-[(4-carbamimidoylphenyl)methyl]-2-[2-hydroxy-6-phenyl-3-(propan-2-ylamino)phenyl]acetamide::N-{4-[Amino(imino)methyl]benzyl}-2-[3-hydroxy-4-(isopropyl)-1,1-biphenyl-2-yl]acetamide::Substituted Benzene Analog 53

SMILES: CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O

InChI Key: InChIKey=CTWGJCJJBKHITF-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 = 14601   

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))	BDBM14601 (CHEMBL125585 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)	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	2.50E+3	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))	BDBM14601 (CHEMBL125585 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)	PDB UniProtKB/SwissProt 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 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
Prothrombin (Homo sapiens (Human))	BDBM14601 (CHEMBL125585 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)	PDB UniProtKB/SwissProt 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 thrombin				Bioorg Med Chem Lett 13: 3721-5 (2003) BindingDB Entry DOI: 10.7270/Q2QR4WJ5
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14601 (CHEMBL125585 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)	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	2.50E+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 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))	BDBM14601 (CHEMBL125585 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)	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
Coagulation factor X (Homo sapiens (Human))	BDBM14601 (CHEMBL125585 | N-[(4-carbamimidoylphenyl)methyl]-2...) Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O Show InChI InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)	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