Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50244357
Substrate
n/a
Meas. Tech.
ChEMBL_564385 (CHEMBL962380)
Ki
3.54±n/a nM
Citation
 Ferreira, AM; Krishnamurthy, M; Moore, BM; Finkelstein, D; Bashford, D Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations. Bioorg Med Chem 17:2598-606 (2009) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 2
Synonyms:
CANNABINOID CB2 | CB-2 | CB2 | CB2A | CB2B | CNR2 | CNR2_HUMAN | CX5 | Cannabinoid CB2 receptor | Cannabinoid receptor 2 (CB2) | Cannabinoid receptor 2 (CB2R) | hCB2
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
39690.94
Organism:
Homo sapiens (Human)
Description:
P34972
Residue:
360
Sequence:
MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
  
Inhibitor
Name:
BDBM50244357
Synonyms:
(6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | 3-[1-(3-Chloro-phenyl)-1-methyl-ethyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | CHEMBL521366
Type:
Small organic molecule
Emp. Form.:
C25H29ClO2
Mol. Mass.:
396.95
SMILES:
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1|
Structure:
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