BDBM84478 Bi-substrate Inhibitor, 1d

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)-c2ccncc2)[C@@H](O)[C@H]1O

InChI Key InChIKey=WHQPJPONFRFBMX-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 84478   

TargetCatechol O-methyltransferase(Rat)
Laboratorium FÜR Organische Chemie

LigandPNGBDBM84478(Bi-substrate Inhibitor, 1d)
Affinity DataIC50: 23nMT: 2°CAssay Description:The binding affinity of the inhibitors towards Catechol O-methyltransferase in the presence of Mg2+ ions were determined by using a radiochemical ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2012
Entry Details Article
PubMed