BDBM50039012 (S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-hydroxymethyl-2-phenyl-ethyl)-amide::CHEMBL304753

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)N[C@H](CO)Cc1ccccc1

InChI Key: InChIKey=ORMRPHSEUYUJAC-GSDHBNRESA-N

Data: 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 1 hit for monomerid = 50039012   

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))	BDBM50039012 ((S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phenyl-pro...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H42N4O4/c1-21(2)17-25(28(36)31-24(20-34)18-22-11-5-3-6-12-22)33-29(37)26(19-23-13-7-4-8-14-23)32-27(35)15-9-10-16-30/h3-8,11-14,21,24-26,34H,9-10,15-20,30H2,1-2H3,(H,31,36)(H,32,35)(H,33,37)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair