Reaction Details  Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50133543
Substrate
n/a
Meas. Tech.
ChEMBL_459064 (CHEMBL925156)
Ki
17.6±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 Chem 50:2875-85 (2007) [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:
BDBM50133543
Synonyms:
(6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | (6aR,10aR)-6,6,9-trimethyl-3-(2-phenyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | CHEMBL118028
Type:
Small organic molecule
Emp. Form.:
C25H28O2S2
Mol. Mass.:
424.619
SMILES:
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1|
Structure:
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