BDBM36010 1-Subsituted 1H-imidazole, 2::1-butylimidazole

SMILES CCCCn1ccnc1

InChI Key InChIKey=MCMFEZDRQOJKMN-UHFFFAOYSA-N

Data  2 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 36010   

TargetCytochrome P450 2A6(Human)
University of Basel

LigandPNGBDBM36010(1-Subsituted 1H-imidazole, 2 | 1-butylimidazole)
Affinity DataIC50: 8.60E+4nMpH: 7.6 T: 2°CAssay Description:Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Basel

LigandPNGBDBM36010(1-Subsituted 1H-imidazole, 2 | 1-butylimidazole)
Affinity DataIC50: 4.40E+4nMpH: 7.6 T: 2°CAssay Description:Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2012
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36010   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36010(1-Subsituted 1H-imidazole, 2 | 1-butylimidazole)
ITC DataΔG°: -3.05kcal/mole −TΔS°: 1.81kcal/mole ΔH°: -4.87kcal/mole logk: 174
pH: 10.0 T: 24.85°C 
In DepthDetails