Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50050129'   

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 (Rattus norvegicus)	BDBM50050129 (4-Hydroxy-1-[(S)-2-((S)-2-mercapto-3-phenyl-propio...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CC(O)CC1C(O)=O Show InChI InChI=1S/C19H26N2O5S/c1-11(2)16(18(24)21-10-13(22)9-14(21)19(25)26)20-17(23)15(27)8-12-6-4-3-5-7-12/h3-7,11,13-16,22,27H,8-10H2,1-2H3,(H,20,23)(H,25,26)/t13?,14?,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin I converting enzyme				J Med Chem 39: 1210-9 (1996) Article DOI: 10.1021/jm950590p BindingDB Entry DOI: 10.7270/Q2DF6RWV
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