BDBM21166 1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole::Triazole-based ligand, 17

SMILES CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl

InChI Key InChIKey=DWRKFAJEBUWTQM-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 = 21166   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM21166(1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-...)
Affinity DataIC50: >5.00E+4nMAssay Description:The inhibition of recombinant human CYP2C9 was measured as the ability to perform a demethylation of 7-methoxy-4-trifluoromethylcoumarin (MFC). Befor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM21166(1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-...)
Affinity DataIC50:  210nMpH: 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 DepthDetails ArticlePubMed