BDBM50130625 (6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::3-(2-Hexyl-4,5-dimethyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL325135
SMILES: CCCCCCC1(SC(C)C(C)S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
InChI Key: InChIKey=DJOOJRWGFDDSJS-YKRCATHFSA-N
Data: 5 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)) | BDBM50130625 ((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19.7 | 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) | BDBM50130625 ((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19.7 | 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 1 (Homo sapiens (Human)) | BDBM50130625 ((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32 | 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 | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50130625 ((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32.3 | 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)) | BDBM50130625 ((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32.3 | 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 |