Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50270874
Substrate
n/a
Meas. Tech.
ChEMBL_1709636 (CHEMBL4119685)
EC50
398±n/a nM
Citation
 Qian, HY; Wang, ZL; Xie, XY; Pan, YL; Li, GJ; Xie, X; Chen, JZ Developing pyridazine-3-carboxamides to be CB2 agonists: The design, synthesis, structure-activity relationships and docking studies. Eur J Med Chem 137:598-611 (2017) [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:
BDBM50270874
Synonyms:
CHEMBL4126281
Type:
Small organic molecule
Emp. Form.:
C24H36N4O
Mol. Mass.:
396.5688
SMILES:
CC(C)c1cc(NC2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(49.43,-7.83,;48.1,-8.6,;46.76,-7.84,;48.1,-10.14,;46.77,-10.91,;46.77,-12.46,;45.44,-13.23,;45.44,-14.77,;44.1,-15.53,;44.09,-17.06,;45.42,-17.84,;46.76,-17.07,;46.77,-15.53,;48.11,-13.23,;49.44,-12.46,;49.44,-10.91,;50.77,-10.13,;50.76,-8.59,;52.11,-10.9,;53.44,-10.12,;54.64,-8.85,;55.96,-9.33,;57.36,-8.98,;57.37,-7.46,;55.98,-6.88,;54.63,-7.35,;54.94,-8.11,;54.94,-9.7,;56.35,-10.26,)|
Structure:
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