BDBM21459 3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-benzylpropanoic acid::CHEMBL51566::Phosphinic Peptide Inhibitor, 18

SMILES: CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=XNBNEBVWZQQHDN-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21459   

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))	BDBM21459 (3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-benzylprop...) Show SMILES CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H18NO4P/c1-9(13)18(16,17)8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13,16-18H,7-8H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-6.82	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
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Staphylococcus epidermidis (strain ATCC 35984 / RP...)	BDBM21459 (3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-benzylprop...) Show SMILES CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H18NO4P/c1-9(13)18(16,17)8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13,16-18H,7-8H2,1H3,(H,14,15)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)				J Med Chem 31: 1772-8 (1988) BindingDB Entry DOI: 10.7270/Q24B31XZ
					More data for this Ligand-Target Pair