BDBM113763 β-Caryophyllene (1)::β-humulene::(−)-trans-caryophyllene

SMILES C\C1=C/CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CC1

InChI Key InChIKey=NPNUFJAVOOONJE-QWAJQTJBSA-N

Data  1 KI  3 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 4 hits for monomerid = 113763   

TargetCannabinoid receptor 1(Homo sapiens (Human))
University Of Bern

LigandPNGBDBM113763(β-Caryophyllene (1) | β-humulene | (W...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.93kcal/molepH: 7.4 T: 2°CAssay Description:In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Bern

LigandPNGBDBM113763(β-Caryophyllene (1) | β-humulene | (W...)
Affinity DataIC50: >5.00E+4nMpH: 8.0 T: 2°CAssay Description:Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Bern

LigandPNGBDBM113763(β-Caryophyllene (1) | β-humulene | (W...)
Affinity DataIC50: >5.00E+4nMpH: 8.0 T: 2°CAssay Description:Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty-acid amide hydrolase 1(Homo sapiens (Human))
University Of Bern

LigandPNGBDBM113763(β-Caryophyllene (1) | β-humulene | (W...)
Affinity DataIC50: >1.00E+4nMpH: 7.6 T: 2°CAssay Description:In this assay, 0.05 Units of hFAAH was pre-incubated for 30 min at 37 C with 2 uL of 11a, 11b, 11f at different concentrations (0.01 - 100 uM) or veh...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed