BDBM50279962 2-Mercaptomethyl-3-phenyl-pentanoic acid::CHEMBL109934

SMILES: CCC(C(CS)C(O)=O)c1ccccc1

InChI Key: InChIKey=POZMELQZYXUDDD-UHFFFAOYSA-N

Data: 1 KI

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 = 50279962   

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
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279962 (2-Mercaptomethyl-3-phenyl-pentanoic acid | CHEMBL1...) Show SMILES CCC(C(CS)C(O)=O)c1ccccc1 Show InChI InChI=1S/C12H16O2S/c1-2-10(11(8-15)12(13)14)9-6-4-3-5-7-9/h3-7,10-11,15H,2,8H2,1H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)				Bioorg Med Chem Lett 1: 323-326 (1991) Article DOI: 10.1016/S0960-894X(01)80817-9 BindingDB Entry DOI: 10.7270/Q2QR4X1V
					More data for this Ligand-Target Pair