BDBM50118594 (R/S)-2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dihydro-isoxazol-5-yl]-ethanone::CHEMBL134636

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

InChI Key: InChIKey=CKBXWCRDYIPREJ-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 = 50118594   

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)	BDBM50118594 ((R/S)-2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dihyd...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)CS |t:9| Show InChI InChI=1S/C12H13NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,12,17H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	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