BDBM50109583 2-Mercaptomethyl-5-phenyl-pentanoic acid::CHEMBL172116::rac-2-omega-phenylpropyl-3-mercaptopropionic acid

SMILES: OC(=O)C(CS)CCCc1ccccc1

InChI Key: InChIKey=HEPZYEZEUMVYDV-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50109583   

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))	BDBM50109583 (2-Mercaptomethyl-5-phenyl-pentanoic acid | CHEMBL1...) Show SMILES OC(=O)C(CS)CCCc1ccccc1 Show InChI InChI=1S/C12H16O2S/c13-12(14)11(9-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.				J Med Chem 45: 911-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BJD
					More data for this Ligand-Target Pair