BDBM50227091 CHEMBL239416::N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-yl)-2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxamide

SMILES OC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NC(=O)C2CCOC(=N2)c2cccc(F)c2)[C@H](O)[C@H]1O

InChI Key InChIKey=ZPFSWDAMAHIEOS-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50227091   

TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50227091(N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dihydro...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
Target1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50227091(N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dihydro...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed