Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme 2' and Ligand = 'BDBM21465'   

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))	BDBM21465 (3-{[1-(6-amino-2-acetamidohexanoyl)pyrrolidin-2-yl...) Show SMILES CC(=O)NC(CCCCN)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:15| Show InChI InChI=1S/C22H34N3O6P/c1-16(26)24-19(10-5-6-12-23)21(27)25-13-7-11-20(25)32(30,31)15-18(22(28)29)14-17-8-3-2-4-9-17/h2-4,8-9,11,18-19,30-32H,5-7,10,12-15,23H2,1H3,(H,24,26)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	-46.7	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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