BDBM50020761 CHEMBL346255::[(3-Mercapto-2-methyl-propionyl)-m-tolyl-amino]-acetic acid

SMILES: CC(CS)C(=O)N(CC(O)=O)c1cccc(C)c1

InChI Key: InChIKey=QZRZSHODTHOGJS-UHFFFAOYSA-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 = 50020761   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020761 (CHEMBL346255 | [(3-Mercapto-2-methyl-propionyl)-m-...) Show SMILES CC(CS)C(=O)N(CC(O)=O)c1cccc(C)c1 Show InChI InChI=1S/C13H17NO3S/c1-9-4-3-5-11(6-9)14(7-12(15)16)13(17)10(2)8-18/h3-6,10,18H,7-8H2,1-2H3,(H,15,16)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3				J Med Chem 28: 57-66 (1985) BindingDB Entry DOI: 10.7270/Q2M90975
					More data for this Ligand-Target Pair