BDBM50067735 (6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::(6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL411626
SMILES: CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
InChI Key: InChIKey=PJPBVOAEXHKPAB-WOJBJXKFSA-N
Data: 14 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.490 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation Curated by ChEMBL | Assay Description Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55,940 as radioligand | J Med Chem 46: 3221-9 (2003) Article DOI: 10.1021/jm020558c BindingDB Entry DOI: 10.7270/Q24M93XT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay. | Bioorg Med Chem Lett 6: 189-194 (1996) Article DOI: 10.1016/0960-894X(95)00573-C BindingDB Entry DOI: 10.7270/Q2KS6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation Curated by ChEMBL | Assay Description Binding affinity to CB2 receptor | J Med Chem 50: 2875-85 (2007) Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation Curated by ChEMBL | Assay Description Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55,940 from mouse spleen synaptosomes | Bioorg Med Chem Lett 12: 3583-6 (2002) BindingDB Entry DOI: 10.7270/Q2K936VT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description The affinity of compound for the cannabinoid brain receptor was determined by measuring its ability to displace [3H]CP-55940 from its binding site in... | Citation and Details BindingDB Entry DOI: 10.7270/Q2TQ63Q7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc. Curated by ChEMBL | Assay Description Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) | J Med Chem 41: 4400-7 (1998) Article DOI: 10.1021/jm9803875 BindingDB Entry DOI: 10.7270/Q2M909CZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University Curated by ChEMBL | Assay Description Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940 | Bioorg Med Chem Lett 8: 2223-6 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F78 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation Curated by ChEMBL | Assay Description Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55,940 from purified rat forbrain synaptosomes | Bioorg Med Chem Lett 12: 3583-6 (2002) BindingDB Entry DOI: 10.7270/Q2K936VT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.830 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation Curated by ChEMBL | Assay Description Binding affinity to CB1 receptor | J Med Chem 50: 2875-85 (2007) Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation Curated by ChEMBL | Assay Description Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940 | J Med Chem 46: 3221-9 (2003) Article DOI: 10.1021/jm020558c BindingDB Entry DOI: 10.7270/Q24M93XT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay. | Bioorg Med Chem Lett 6: 189-194 (1996) Article DOI: 10.1016/0960-894X(95)00573-C BindingDB Entry DOI: 10.7270/Q2KS6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation Curated by ChEMBL | Assay Description Binding affinity at CB1 receptor | Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M | |||||||||||
More data for this Ligand-Target Pair |