BDBM84863 5'-Deoxy-5'-thiodenosine scaffold, 14a

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2ccccc2)[C@@H](O)[C@H]1O

InChI Key InChIKey=DBQUNXDCOIKHGM-UHFFFAOYSA-N

Data  2 Kd  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 84863   

TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Cambridge

LigandPNGBDBM84863(5'-Deoxy-5'-thiodenosine scaffold, 14a)
Affinity DataKd:  2.10E+5nMpH: 7.6 T: 2°CAssay Description:The dissociation constants and enthalpies was determined by isothermal titration calorimety.More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/14/2012
Entry Details Article
PubMed
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Cambridge

LigandPNGBDBM84863(5'-Deoxy-5'-thiodenosine scaffold, 14a)
Affinity DataKd:  2.10E+5nMAssay Description:Binding affinity to Mycobacterium tuberculosis Pantothenate synthetaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 84863   

CellPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Cambridge

SyringePNGBDBM84863(5'-Deoxy-5'-thiodenosine scaffold, 14a)
ITC DataΔH°: -14.3kcal/mole
pH: 7.6 T: 25.00°C 
In DepthDetails Article
PubMed