BindingDB PrimarySearch

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: 11 KI 3 IC50 3 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50318484
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval, Curated by ChEMBL					Assay Description Competitive inhibition of human liver microsomes CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate...				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...				J Nat Prod 82: 636-646 (2019) Article DOI: 10.1021/acs.jnatprod.8b00874
Concordia University Wisconsin Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 ...				J Nat Prod 82: 636-646 (2019) Article DOI: 10.1021/acs.jnatprod.8b00874
Concordia University Wisconsin Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO cells				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
Arena Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
Universit£ di Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
Arena Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
Universit£ di Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KannaLife Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 mins				ACS Med Chem Lett 7: 424-8 (2016) BindingDB Entry DOI: 10.7270/Q2BZ680Z
KannaLife Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ben-Gurion University of the Negev Curated by ChEMBL					Assay Description Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain				J Med Chem 49: 1113-7 (2006) Article DOI: 10.1021/jm050709m BindingDB Entry DOI: 10.7270/Q2GT5NZJ
Ben-Gurion University of the Negev Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO cells				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	445	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Binding affinity to GPR55				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using [14C]-N-palmitoylethanolamine as substrate measured after 30 mins by beta-counti...				J Nat Prod 82: 636-646 (2019) Article DOI: 10.1021/acs.jnatprod.8b00874
Concordia University Wisconsin Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method				J Nat Prod 82: 636-646 (2019) Article DOI: 10.1021/acs.jnatprod.8b00874
Concordia University Wisconsin Curated by ChEMBL					More data for this Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by b...				J Nat Prod 82: 636-646 (2019) Article DOI: 10.1021/acs.jnatprod.8b00874
Concordia University Wisconsin Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...				J Nat Prod 83: 1711-1715 (2020)
Universit£ del Piemonte Orientale Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair