BDBM29100 dibenzothiazepine, 12h

SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1

InChI Key InChIKey=OHOQFGDSEWQDAX-UHFFFAOYSA-N

Data  2 KI

  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 = 29100   

TargetCannabinoid receptor 1(Homo sapiens (Human))
Acadia Pharmaceuticals

LigandPNGBDBM29100(dibenzothiazepine, 12h)
Affinity DataKi:  0.200nM ΔG°:  -13.1kcal/molepH: 7.2 T: 2°CAssay Description:IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Acadia Pharmaceuticals

LigandPNGBDBM29100(dibenzothiazepine, 12h)
Affinity DataKi:  1.00E+3nM ΔG°:  -8.10kcal/molepH: 7.2 T: 2°CAssay Description:IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed