BDBM50063884 (6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::(6aR,10aR)-3-(1-hexylcyclopropyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL19847
SMILES: CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
InChI Key: InChIKey=UVQIBKXDOZWHFU-WOJBJXKFSA-N
Data: 9 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 |
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Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.437 | 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 (Homo sapiens (Human)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.440 | 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)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.440 | 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 2 (MOUSE) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | Reactome pathway KEGG GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.860 | 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 2 (Homo sapiens (Human)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.860 | 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 (Homo sapiens (Human)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | PDB Reactome pathway KEGG GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.17 | 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 The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brain | J Med Chem 41: 1195-200 (1998) Article DOI: 10.1021/jm970277i BindingDB Entry DOI: 10.7270/Q22806QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50063884![]() ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) | Reactome pathway KEGG GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.30 | 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 The compound was evaluated for its affinity towards cannabinoid receptor 2 (CB2) in mouse spleen | J Med Chem 41: 1195-200 (1998) Article DOI: 10.1021/jm970277i BindingDB Entry DOI: 10.7270/Q22806QW | |||||||||||
More data for this Ligand-Target Pair |