Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50213596
Substrate
n/a
Meas. Tech.
ChEMBL_459064 (CHEMBL925156)
Ki
32.87±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:
BDBM50213596
Synonyms:
5-(2,2-dichloro-1-hexyl-cyclopropyl)-2-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-benzene-1,3-diol | 5-(2,2-dichloro-1-hexylcyclopropyl)-2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-diol | CHEMBL238972
Type:
Small organic molecule
Emp. Form.:
C25H34Cl2O2
Mol. Mass.:
437.442
SMILES:
CCCCCCC1(CC1(Cl)Cl)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18|
Structure:
Search PDB for entries with ligand similarity: