BDBM50279952 3-(3,4-Dimethyl-phenyl)-2-mercaptomethyl-propionic acid::CHEMBL108489

SMILES: Cc1ccc(CC(CS)C(O)=O)cc1C

InChI Key: InChIKey=GGXRORDBMSLCRD-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 = 50279952   

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))	BDBM50279952 (3-(3,4-Dimethyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1C Show InChI InChI=1S/C12H16O2S/c1-8-3-4-10(5-9(8)2)6-11(7-15)12(13)14/h3-5,11,15H,6-7H2,1-2H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair