Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50313762'   

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)	BDBM50313762 (1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(3''-hydr...) Show SMILES COc1cc(cc(OC)c1OC)[C-]1CC(c2ccc(c(O)c2)[N+]([O-])=O)[N+](C)=N1 |c:28| Show InChI InChI=1S/C19H21N3O6/c1-21-15(11-5-6-14(22(24)25)16(23)7-11)10-13(20-21)12-8-17(26-2)19(28-4)18(9-12)27-3/h5-9,15,23H,10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+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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