BDBM50039011 (S)-2-{(S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester::CHEMBL417058

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

InChI Key: InChIKey=ZZIFSFUTXMJRDR-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 = 50039011   

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))	BDBM50039011 ((S)-2-{(S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phe...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN Show InChI InChI=1S/C30H42N4O5/c1-21(2)18-24(28(36)34-26(30(38)39-3)20-23-14-8-5-9-15-23)33-29(37)25(19-22-12-6-4-7-13-22)32-27(35)16-10-11-17-31/h4-9,12-15,21,24-26H,10-11,16-20,31H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.71E+4	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