Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50062508
Substrate
n/a
Meas. Tech.
ChEMBL_1462820 (CHEMBL3399659)
Ki
22±n/a nM
Citation
 Bertini, S; Parkkari, T; Savinainen, JR; Arena, C; Saccomanni, G; Saguto, S; Ligresti, A; Allarà, M; Bruno, A; Marinelli, L; Di Marzo, V; Novellino, E; Manera, C; Macchia, M Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands. Eur J Med Chem 90:526-36 (2015) [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:
BDBM50062508
Synonyms:
CHEMBL3397522
Type:
Small organic molecule
Emp. Form.:
C26H35NO3
Mol. Mass.:
409.561
SMILES:
CCCCc1cc(cc(C(=O)N[C@@H]2CC[C@H](C)CC2)c1OC)-c1ccc(OC)cc1 |r,wD:12.11,15.15,(-1.6,8.32,;-2.67,7.7,;-2.67,6.16,;-4,5.39,;-4.01,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.54,;-6.67,.76,;-7.74,1.37,;-6.66,-.78,;-7.99,-1.56,;-7.99,-3.1,;-9.32,-3.87,;-10.66,-3.1,;-11.72,-3.72,;-10.66,-1.56,;-9.33,-.79,;-5.34,3.08,;-6.68,3.84,;-7.74,3.22,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-2.78,;,-1.54,;-1.33,-.77,)|
Structure:
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