Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50313754'   

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 (Oryctolagus cuniculus)	BDBM50313754 ((E)-3-(3''-hydroxy-4''-nitrophenyl)-1-(3',4',5'-tr...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(c(O)c1)[N+]([O-])=O Show InChI InChI=1S/C18H17NO7/c1-24-16-9-12(10-17(25-2)18(16)26-3)14(20)7-5-11-4-6-13(19(22)23)15(21)8-11/h4-10,21H,1-3H3/b7-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Calabria Curated by ChEMBL					Assay Description Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysis				Bioorg Med Chem Lett 20: 1990-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.113 BindingDB Entry DOI: 10.7270/Q2G73DW4
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