BDBM50118595 (R/S)-5-Methanesulfonyl-3-(4-methoxy-phenyl)-4,5-dihydro-isoxazole::CHEMBL136384

SMILES: COc1ccc(cc1)C1=NOC(C1)S(C)(=O)=O

InChI Key: InChIKey=SPNGBVJLFZUFFF-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50118595   

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
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LxpC) (Escherichia coli)	BDBM50118595 ((R/S)-5-Methanesulfonyl-3-(4-methoxy-phenyl)-4,5-d...) Show SMILES COc1ccc(cc1)C1=NOC(C1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C11H13NO4S/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-6,11H,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair