BDBM21454 2-[({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}(hydroxy)phosphoryl)methyl]-4-methylpentanoic acid::Phosphinic Peptide Inhibitor, 13

SMILES: CC(C)CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O

InChI Key: InChIKey=WTTYTDYQCIMIAP-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 = 21454   

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))	BDBM21454 (2-[({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}(hydro...) Show SMILES CC(C)CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O |t:9| Show InChI InChI=1S/C19H28NO6P/c1-14(2)11-16(18(21)22)13-27(24,25)17-9-6-10-20(17)19(23)26-12-15-7-4-3-5-8-15/h3-5,7-9,14,16,24-25,27H,6,10-13H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	-8.89	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