BDBM50102723 4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-sulfonic acid dimethylamide::4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE::CHEMBL90488::CP-166572

SMILES CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO

InChI Key InChIKey=XDTHNROWHAAVPJ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50102723   

TargetSorbitol dehydrogenase(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50102723(4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...)
Affinity DataIC50: 1.00E+3nMAssay Description:Concentration required for inhibitory activity against human sorbitol dehydrogenase (SDH)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSorbitol dehydrogenase(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50102723(4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...)
Affinity DataIC50: 240nMAssay Description:Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSorbitol dehydrogenase(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50102723(4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...)
Affinity DataIC50: 246nMAssay Description:In vitro inhibitory activity against human SDHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)