Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50050137'   

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)	BDBM50050137 ((R)-3-Benzylsulfanyl-2-[(S)-2-((S)-2-mercapto-3-ph...) Show SMILES OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C28H30N2O4S2/c31-26(30-24(28(33)34)19-36-18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)29-27(32)25(35)17-21-12-6-2-7-13-21/h1-15,23-25,35H,16-19H2,(H,29,32)(H,30,31)(H,33,34)/t23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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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