BDBM84862 5'-Deoxy-5'-thiodenosine scaffold, 6

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

InChI Key InChIKey=HLJHWWUZHBUUAC-KQYNXXCUSA-N

Data  1 KI  2 Kd  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 84862   

TargetAdenosylhomocysteinase(Homo sapiens (Human))
Umr 6519

Curated by ChEMBL
LigandPNGBDBM84862(5'-Deoxy-5'-thiodenosine scaffold, 6)
Affinity DataKi:  4.00E+3nMAssay Description:Binding affinity for human placental S-adenosyl-homocysteine hydrolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM84862(5'-Deoxy-5'-thiodenosine scaffold, 6)
Affinity DataKd:  3.80E+5nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis Pantothenate synthetase by ITC methodMore data for this Ligand-Target Pair
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM84862(5'-Deoxy-5'-thiodenosine scaffold, 6)
Affinity DataKd:  3.80E+5nMpH: 7.6 T: 2°CAssay Description:The dissociation constants and enthalpies was determined by isothermal titration calorimety.Checked by AuthorMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 84862   

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

SyringePNGBDBM84862(5'-Deoxy-5'-thiodenosine scaffold, 6)
ITC DataΔH°: -22.4kcal/mole
pH: 7.6 T: 25.00°C