BDBM50279955 2-Mercaptomethyl-3-p-tolyl-propionic acid::CHEMBL111288

SMILES: Cc1ccc(CC(CS)C(O)=O)cc1

InChI Key: InChIKey=FIYUTKNWTIBLTF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50279955   

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))	BDBM50279955 (2-Mercaptomethyl-3-p-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C11H14O2S/c1-8-2-4-9(5-3-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	112	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
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279955 (2-Mercaptomethyl-3-p-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C11H14O2S/c1-8-2-4-9(5-3-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	112	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