BDBM21458 2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl)(hydroxy)phosphoryl]propanoic acid::Phosphinic Peptide Inhibitor, 17

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=QLXQJCXQCRYSRP-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21458   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM21458 (2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}-3-meth...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C23H30NO6P/c1-17(2)13-21(24-23(27)30-15-19-11-7-4-8-12-19)31(28,29)16-20(22(25)26)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	-6.95	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
					More data for this Ligand-Target Pair