BindingDB PrimarySearch

BDBM50061116 3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-benzo[c]-chromene-6-one::3-(1,1-Dimethyl-heptyl)-1-hydroxy-9-methyl-benzo[c]chromen-6-one::CHEMBL113230

SMILES: CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21

InChI Key: InChIKey=WFUIRMQOOAUKII-UHFFFAOYSA-N

Data: 5 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50061116
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
Cannabinoid receptor 2 (MOUSE)	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes				J Med Chem 50: 6493-500 (2007) Article DOI: 10.1021/jm070441u BindingDB Entry DOI: 10.7270/Q2736QN9
Northeastern University Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...				J Med Chem 40: 3228-33 (1997) Article DOI: 10.1021/jm970126f BindingDB Entry DOI: 10.7270/Q27943TD
Institute of Science Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.				J Med Chem 40: 3228-33 (1997) Article DOI: 10.1021/jm970126f BindingDB Entry DOI: 10.7270/Q27943TD
Institute of Science Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes				J Med Chem 50: 6493-500 (2007) Article DOI: 10.1021/jm070441u BindingDB Entry DOI: 10.7270/Q2736QN9
Northeastern University Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...				J Med Chem 40: 3228-33 (1997) Article DOI: 10.1021/jm970126f BindingDB Entry DOI: 10.7270/Q27943TD
Institute of Science Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Effective concentration for inhibition of human Cannabinoid receptor 2-mediated adenylylcyclase using African green monkey (COS-7) cells transfected ...				J Med Chem 40: 3228-33 (1997) Article DOI: 10.1021/jm970126f BindingDB Entry DOI: 10.7270/Q27943TD
Institute of Science Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50061116 (3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.60	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...				J Med Chem 40: 3228-33 (1997) Article DOI: 10.1021/jm970126f BindingDB Entry DOI: 10.7270/Q27943TD
Institute of Science Curated by ChEMBL					More data for this Ligand-Target Pair