Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50063885 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_459063 (CHEMBL925155) | ||
Ki | 0.32±n/a nM | ||
Citation | Durdagi, S; Kapou, A; Kourouli, T; Andreou, T; Nikas, SP; Nahmias, VR; Papahatjis, DP; Papadopoulos, MG; Mavromoustakos, T The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2. J Med Chem50:2875-85 (2007) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cannabinoid receptor 1 | |||
Name: | Cannabinoid receptor 1 | ||
Synonyms: | CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain) | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 52868.96 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P21554 | ||
Residue: | 472 | ||
Sequence: |
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BDBM50063885 | |||
n/a | |||
Name | BDBM50063885 | ||
Synonyms: | (-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hydroxy-6H-dibenzo[ | (-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethylhydroxy-6H-dibenzo[b,d]pyranyl)-2-hexyl-1,3-dithiolane | (6aR,10aR)-3-(2-Hexyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | (6aR,10aR)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | 3-(2-Hexyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | CHEMBL476325 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H36O2S2 | ||
Mol. Mass. | 432.682 | ||
SMILES | CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| | ||
Structure |