BDBM21149 4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]pyridine::Pyridine-based ligand, 1

SMILES Brc1ccc(cc1)-n1c(SCc2ccccc2)nnc1-c1ccncc1

InChI Key InChIKey=IWCKJSOBOIUYSP-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 = 21149   

TargetCytochrome P450 3A4(Human)
Astrazeneca

LigandPNGBDBM21149(4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-t...)
Affinity DataIC50: 1.30E+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

LigandPNGBDBM21149(4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-t...)
Affinity DataIC50: 4.30E+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