Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50271034
Substrate
n/a
Meas. Tech.
ChEMBL_1709636 (CHEMBL4119685)
EC50
>10000±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:
BDBM50271034
Synonyms:
CHEMBL4129758
Type:
Small organic molecule
Emp. Form.:
C23H36N4O
Mol. Mass.:
384.5581
SMILES:
CCC(CC)Nc1nnc(cc1C(C)C)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(30.49,-26.06,;30.49,-24.52,;29.16,-23.75,;27.82,-24.52,;27.82,-26.06,;29.16,-22.21,;30.49,-21.44,;31.83,-22.21,;33.16,-21.44,;33.16,-19.89,;31.82,-19.13,;30.49,-19.9,;29.16,-19.13,;29.16,-17.59,;27.83,-19.9,;34.49,-19.11,;34.48,-17.57,;35.83,-19.88,;37.16,-19.1,;38.37,-17.83,;39.69,-18.31,;41.08,-17.96,;41.09,-16.44,;39.7,-15.87,;38.35,-16.34,;38.66,-17.09,;38.66,-18.68,;40.07,-19.24,)|
Structure:
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