Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme 2' and Ligand = 'BDBM21463'   

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 2 (Homo sapiens (Human))	BDBM21463 (2-benzyl-3-{[1-(2-acetamidopropanoyl)pyrrolidin-2-...) Show SMILES CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:11| Show InChI InChI=1S/C19H27N2O6P/c1-13(20-14(2)22)18(23)21-10-6-9-17(21)28(26,27)12-16(19(24)25)11-15-7-4-3-5-8-15/h3-5,7-9,13,16,26-28H,6,10-12H2,1-2H3,(H,20,22)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	-46.4	n/a	n/a	n/a	n/a	n/a	6.8	25
University of Athens					Assay Description Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
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