BDBM50039007 (S)-2-{(S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester::CHEMBL306644

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

InChI Key: InChIKey=GBZXERGKRNVRLO-SDHOMARFSA-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 = 50039007   

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))	BDBM50039007 ((S)-2-{(S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-p...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N Show InChI InChI=1S/C30H42N6O5/c1-20(2)17-23(27(38)36-25(29(40)41-3)19-22-13-8-5-9-14-22)35-28(39)24(18-21-11-6-4-7-12-21)34-26(37)15-10-16-33-30(31)32/h4-9,11-14,20,23-25H,10,15-19H2,1-3H3,(H,34,37)(H,35,39)(H,36,38)(H4,31,32,33)/t23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.41E+3	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