BDBM50039021 (S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-hydroxymethyl-2-phenyl-ethyl)-amide::CHEMBL65897

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

InChI Key: InChIKey=FTCMAZUICNHSBK-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 = 50039021   

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))	BDBM50039021 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H42N6O4/c1-20(2)16-24(27(38)33-23(19-36)17-21-10-5-3-6-11-21)35-28(39)25(18-22-12-7-4-8-13-22)34-26(37)14-9-15-32-29(30)31/h3-8,10-13,20,23-25,36H,9,14-19H2,1-2H3,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+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