BDBM50318484 2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol::CANNABIDIOL::CHEMBL190461

SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1

InChI Key InChIKey=QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Data  37 KI  12 IC50  1 Kd  33 EC50  1 Koff

PDB links: 11 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50318484   

TargetCytochrome P450 1A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  150nMAssay Description:Competitive inhibition of human liver microsomes CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  160nMAssay Description:Competitive inhibition of human recombinant CYP1A1 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  190nMAssay Description:Competitive inhibition of human recombinant CYP3A5 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 15 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  372nMAssay Description:Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  690nMAssay Description:Mixed type inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect cells using coumarin as substrate preincubated for 5 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  790nMAssay Description:Mixed type inhibition of human recombinant CYP2C19 using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH-generating system add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.00E+3nMAssay Description:Competitive inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 15 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of 5-HT2C (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of mu-type opioid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.46E+3nMAssay Description:Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition of kappa-type opioid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.40E+3nMAssay Description:Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.42E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH generating by Lineweave...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.69E+3nMAssay Description:Competitive inhibition of human recombinant CYP1A2 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibition of D1 dopamine receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.86E+3nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.86E+3nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.90E+3nMAssay Description:Binding affinity towards cloned human cannabinoid receptor 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  3.10E+3nMAssay Description:Inhibition of histamine H3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  3.20E+3nMAssay Description:Inhibition of alpha2B receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of sigma2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  3.63E+3nMAssay Description:Competitive inhibition of human recombinant CYP1B1 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of alpha2C receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  4.35E+3nMAssay Description:Binding affinity to human CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  4.35E+3nMAssay Description:Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  4.40E+3nMAssay Description:Binding affinity towards cloned human Cannabinoid receptor 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  5.60E+3nMAssay Description:Competitive inhibition of CYP2C9 in pooled human liver microsomes using S-warfarin as substrate preincubated for 5 mins followed by NADPH-generating ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  6.40E+3nMAssay Description:Inhibition of delta-type opioid receptor receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Ben-Gurion University Of The Negev

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]HU243 from CB1 receptor in Sabra rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Concordia University Wisconsin

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Ben-Gurion University Of The Negev

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 90 minsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Ben-Gurion University Of The Negev

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A7(Homo sapiens)
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.23E+4nMAssay Description:Mixed type inhibition of human recombinant CYP3A7 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 30 mins f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C11(Rattus norvegicus)
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.07E+4nMAssay Description:Competitive inhibition of CYP2C11 in rat liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.40E+4nMAssay Description:Non-competitive inhibition of human LDHA assessed as reduction in lactate production using pyruvate as substrate in presence of NADH by Lineweaver-Bu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  5.50E+4nMAssay Description:Non-competitive inhibition of human recombinant CYP2A6 expressed in baculovirus-infected insect cells using coumarin as substrate preincubated for 5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  1.24E+5nMAssay Description:Mixed type inhibition of CYP17 in Sprague-Dawley rat testis microsomes assessed as reduction in 17alpha-Hydroxylase activity in presence of NADPH-gen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed