Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50050162'   

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)	BDBM50050162 ((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)CCc1ccccc1 Show InChI InChI=1S/C28H30N2O5S/c31-22-14-11-21(12-15-22)18-24(28(34)35)30-26(32)23(17-20-9-5-2-6-10-20)29-27(33)25(36)16-13-19-7-3-1-4-8-19/h1-12,14-15,23-25,31,36H,13,16-18H2,(H,29,33)(H,30,32)(H,34,35)/t23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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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