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-NDRYKJPLSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50227091   

Target1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase(Mycobacterium tuberculosis)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50227091(CHEMBL239416 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50227091(CHEMBL239416 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed