BDBM21156 4-(methanesulfonylmethyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine::Pyrimidine-based ligand, 7

SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccccc1)N1CCCC1

InChI Key InChIKey=XVESHLWLQJLGGM-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 21156   

TargetCytochrome P450 3A4(Human)
Astrazeneca

LigandPNGBDBM21156(4-(methanesulfonylmethyl)-2-phenyl-6-(pyrrolidin-1...)
Affinity DataIC50: 4.00E+4nMpH: 7.4 T: 2°CAssay Description:The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Bef...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2008
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Astrazeneca

LigandPNGBDBM21156(4-(methanesulfonylmethyl)-2-phenyl-6-(pyrrolidin-1...)
Affinity DataIC50: 5.00E+4nMAssay Description:The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Bef...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2008
Entry Details Article
PubMed