Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50553585
Substrate
n/a
Meas. Tech.
ChEMBL_2046940 (CHEMBL4701639)
Ki
110±n/a nM
Citation
 Penthala, NR; Shoeib, A; Dachavaram, SS; Cabanlong, CV; Yang, J; Zhan, CG; Prather, PL; Crooks, PA 7-Azaindolequinuclidinones (7-AIQD): A novel class of cannabinoid 1 (CB1) and cannabinoid 2 (CB2) receptor ligands. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50553585
Synonyms:
CHEMBL4741229
Type:
Small organic molecule
Emp. Form.:
C22H21N3O
Mol. Mass.:
343.4216
SMILES:
O=C1C2CCN(CC2)\C1=C/c1cn(Cc2ccccc2)c2ncccc12 |(34.95,-5.65,;36.29,-6.41,;37.62,-5.64,;38.96,-6.4,;38.96,-7.94,;37.64,-8.71,;36.88,-7.36,;38.38,-6.96,;36.3,-7.95,;34.97,-8.73,;34.99,-10.28,;35.89,-11.53,;34.99,-12.78,;34.97,-14.32,;33.63,-15.07,;32.31,-14.28,;30.98,-15.04,;30.96,-16.58,;32.29,-17.36,;33.63,-16.6,;33.52,-12.31,;32.18,-13.09,;30.84,-12.32,;30.84,-10.77,;32.17,-9.99,;33.51,-10.76,)|
Structure:
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