BindingDB PrimarySearch

BDBM50085406 (2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester::CHEMBL45000

SMILES: COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=KHKDEFVNVUMQQM-UZUQRXQVSA-N

Data: 7 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50085406
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 X (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) 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 Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
Rhone-Poulenc Rorer Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) 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 Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inibition of Coagulation factor Xa				Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG
Aventis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) 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 Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Coagulation factor Xa				Bioorg Med Chem Lett 12: 1667-70 (2002) BindingDB Entry DOI: 10.7270/Q2GM86MR
Aventis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) 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 Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				J Med Chem 56: 2016-28 (2013) Article DOI: 10.1021/jm3016816 BindingDB Entry DOI: 10.7270/Q25140J6
University of Hamburg Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human trypsin				Bioorg Med Chem Lett 12: 1667-70 (2002) BindingDB Entry DOI: 10.7270/Q2GM86MR
Aventis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory potency against Trypsin				Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG
Aventis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085406 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Coagulation factor IIa				Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG
Aventis Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair