BDBM21151 4-(4-ethyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine::Pyridine-based ligand, 2

SMILES CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1

InChI Key InChIKey=OCSFKRCNTJAHRX-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 = 21151   

TargetCytochrome P450 3A4(Human)
Astrazeneca

LigandPNGBDBM21151(4-(4-ethyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4...)
Affinity DataIC50: 2.80E+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

LigandPNGBDBM21151(4-(4-ethyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4...)
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