BDBM21167 Triazole-based ligand, 18::[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

SMILES CS(=O)(=O)OCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl

InChI Key InChIKey=QIMASXGTWQEFGS-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 = 21167   

TargetCytochrome P450 3A4(Human)
Astrazeneca

LigandPNGBDBM21167([2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylme...)
Affinity DataIC50: 7.70E+3nMpH: 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

LigandPNGBDBM21167([2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylme...)
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