BDBM50062714 (2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-5-phenyl-pentanoic acid methyl ester::CHEMBL45407

SMILES: COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JFZUBUPLMKFLQR-LOYHVIPDSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50062714   

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 X (Homo sapiens (Human))	BDBM50062714 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50062714 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	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
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062714 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	810	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 IIa				Bioorg Med Chem Lett 12: 1667-70 (2002) BindingDB Entry DOI: 10.7270/Q2GM86MR
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50062714 ((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against human Coagulation factor X				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair