BindingDB PrimarySearch

BDBM14597 2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-biphenyl-2-yl]-N-{4-[amino(imino)methyl]benzyl}acetamide::2-[6-(3-aminophenyl)-2-fluoro-3-(propan-2-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide::CHEMBL125781::Substituted Benzene Analog 50c

SMILES: CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F

InChI Key: InChIKey=UIFFGJRELUIVDZ-UHFFFAOYSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 14597
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor VII (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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	340	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
Pharmacia Corporation					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	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
Pharmacia Corporation					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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
Pharmacia Corporation					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	950	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
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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	340	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
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Thrombin and coagulation factor VII (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human factor 7a using H-Dphenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 7a				J Med Chem 51: 282-97 (2008) Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using H-D-phenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins				Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ
Hefei University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble tissue factor (1 to 219 residues) expressed in Escherichia coli/recombinant human factor 7a using N-methylsul...				Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ
Hefei University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of human factor 10a using N-alpha-benzyloxy-carbonyl-D-arginyl-L-glycyl-L-arginine-p-nitroaniline-dihydrochloride as substrate after 60 mi...				Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ
Hefei University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human factor 2a using H-Dphenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14597 (2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...) Show SMILES Show InChI	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
Pharmacia Corporation Curated by ChEMBL					More data for this Ligand-Target Pair