BDBM50280255 7-Amino-3-{[(S)-1-((R)-2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-hydroxy-2-methoxy-heptanoic acid methyl ester; dihydrochloride::BMS-181412::CHEMBL539241

SMILES: COC(=O)C(O)(OC)C(CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1

InChI Key: InChIKey=GKRKBGYQLRCAHK-ICFVTJIFSA-N

Data: 1 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 2 hits for monomerid = 50280255   

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
Prothrombin (Homo sapiens (Human))	BDBM50280255 (7-Amino-3-{[(S)-1-((R)-2-amino-3-phenyl-propionyl)...) Show SMILES COC(=O)C(O)(OC)C(CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C23H36N4O6/c1-32-22(30)23(31,33-2)19(12-6-7-13-24)26-20(28)18-11-8-14-27(18)21(29)17(25)15-16-9-4-3-5-10-16/h3-5,9-10,17-19,31H,6-8,11-15,24-25H2,1-2H3,(H,26,28)/t17-,18+,19?,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Overall Inhibitory constant of the compound against thrombin was determined				Bioorg Med Chem Lett 2: 1607-1612 (1992) Article DOI: 10.1016/S0960-894X(00)80440-0 BindingDB Entry DOI: 10.7270/Q2G44Q67
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50280255 (7-Amino-3-{[(S)-1-((R)-2-amino-3-phenyl-propionyl)...) Show SMILES COC(=O)C(O)(OC)C(CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C23H36N4O6/c1-32-22(30)23(31,33-2)19(12-6-7-13-24)26-20(28)18-11-8-14-27(18)21(29)17(25)15-16-9-4-3-5-10-16/h3-5,9-10,17-19,31H,6-8,11-15,24-25H2,1-2H3,(H,26,28)/t17-,18+,19?,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against thrombin when incubated with the compound for 3 min				Bioorg Med Chem Lett 2: 1607-1612 (1992) Article DOI: 10.1016/S0960-894X(00)80440-0 BindingDB Entry DOI: 10.7270/Q2G44Q67
					More data for this Ligand-Target Pair