Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50021046'   

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 (Homo sapiens (Human))	BDBM50021046 (1-[2-(1-Ethoxycarbonyl-3-phenyl-propylsulfanyl)-pr...) Show SMILES CCOC(=O)C(CCc1ccccc1)SC(C)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C20H27NO5S/c1-3-26-20(25)17(12-11-15-8-5-4-6-9-15)27-14(2)18(22)21-13-7-10-16(21)19(23)24/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum				J Med Chem 28: 1291-5 (1985) BindingDB Entry DOI: 10.7270/Q2GF0V34
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