Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50202519
Substrate
n/a
Meas. Tech.
ChEMBL_1624522 (CHEMBL3866934)
IC50
475±n/a nM
Citation
 Osman, NA; Ligresti, A; Klein, CD; Allarà, M; Rabbito, A; Di Marzo, V; Abouzid, KA; Abadi, AH Discovery of novel Tetrahydrobenzo[b]thiophene and pyrrole based scaffolds as potent and selective CB2 receptor ligands: The structural elements controlling binding affinity, selectivity and functionality. Eur J Med Chem 122:619-634 (2016) [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:
BDBM50202519
Synonyms:
CHEMBL3909238
Type:
Small organic molecule
Emp. Form.:
C22H29NO3S
Mol. Mass.:
387.536
SMILES:
CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Structure:
Search PDB for entries with ligand similarity: