BDBM21161 4-{1-[(4-methanesulfonylphenyl)methyl]-1H-pyrazol-4-yl}pyridine::Pyridine-based ligand, 12

SMILES CS(=O)(=O)c1ccc(Cn2cc(cn2)-c2ccncc2)cc1

InChI Key InChIKey=CQAZSXLFKOPBIY-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21161   

TargetCytochrome P450 3A4(Human)
Astrazeneca

LigandPNGBDBM21161(4-{1-[(4-methanesulfonylphenyl)methyl]-1H-pyrazol-...)
Affinity DataIC50: 2.60E+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

LigandPNGBDBM21161(4-{1-[(4-methanesulfonylphenyl)methyl]-1H-pyrazol-...)
Affinity DataIC50: 1.30E+3nMAssay 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