Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme 2' and Ligand = 'BDBM21467'   

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))	BDBM21467 (2-benzyl-3-({1-[2-acetamido-3-(4-hydroxyphenyl)pro...) Show SMILES CC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:19| Show InChI InChI=1S/C25H31N2O7P/c1-17(28)26-22(15-19-9-11-21(29)12-10-19)24(30)27-13-5-8-23(27)35(33,34)16-20(25(31)32)14-18-6-3-2-4-7-18/h2-4,6-12,20,22,29,33-35H,5,13-16H2,1H3,(H,26,28)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20	-47.3	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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