Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50021049'   

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))	BDBM50021049 ((S,S)-2-[2-(1-Ethoxycarbonyl-3-phenyl-propoxy)-pro...) Show SMILES CCOC(=O)C(CCc1ccccc1)OC(C)C(=O)N1Cc2ccccc2CC1C(O)=O Show InChI InChI=1S/C25H29NO6/c1-3-31-25(30)22(14-13-18-9-5-4-6-10-18)32-17(2)23(27)26-16-20-12-8-7-11-19(20)15-21(26)24(28)29/h4-12,17,21-22H,3,13-16H2,1-2H3,(H,28,29)	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	14	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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