Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50224069
Substrate
n/a
Meas. Tech.
ChEMBL_450409 (CHEMBL900693)
Ki
160±n/a nM
Citation
 Stern, E; Muccioli, GG; Bosier, B; Hamtiaux, L; Millet, R; Poupaert, JH; Hénichart, JP; Depreux, P; Goossens, JF; Lambert, DM Pharmacomodulations around the 4-oxo-1,4-dihydroquinoline-3-carboxamides, a class of potent CB2-selective cannabinoid receptor ligands: consequences in receptor affinity and functionality. J Med Chem 50:5471-84 (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:
BDBM50224069
Synonyms:
CHEMBL394230 | N3-(1-(3,5-dimethyl)adamantyl)-4-oxo-1-(3-phenylpropyl)-1,4-dihydroquinoline-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C31H36N2O2
Mol. Mass.:
468.6297
SMILES:
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(CCCc2ccccc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:12:9:4:7.1.2,12:9:4.5.7:2,0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11|
Structure:
Search PDB for entries with ligand similarity: