Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50021044'   

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))	BDBM50021044 (1-[2-(1-Carboxy-3-phenyl-propoxy)-propionyl]-pyrro...) Show SMILES CC(OC(CCc1ccccc1)C(O)=O)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C18H23NO6/c1-12(16(20)19-11-5-8-14(19)17(21)22)25-15(18(23)24)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,21,22)(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	110	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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