Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50041053'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Mus musculus)	BDBM50041053 (2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...) Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)c(F)c1)C(O)=O Show InChI InChI=1S/C14H17F2NO3S/c1-7(9-3-4-11(15)12(16)5-9)10(6-21)13(18)17-8(2)14(19)20/h3-5,7-8,10,21H,6H2,1-2H3,(H,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair