Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme 2' and Ligand = 'BDBM21475'   

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))	BDBM21475 (3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanamido...) Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C26H34N5O7P/c1-16(2)9-24(30-25(33)23(29-17(3)32)11-20-13-27-15-28-20)39(36,37)14-19(26(34)35)10-21-12-22(31-38-21)18-7-5-4-6-8-18/h4-8,12-13,15-16,19,23-24H,9-11,14H2,1-3H3,(H,27,28)(H,29,32)(H,30,33)(H,34,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	-38.0	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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