Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50271033
Substrate
n/a
Meas. Tech.
ChEMBL_1709636 (CHEMBL4119685)
EC50
100±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:
BDBM50271033
Synonyms:
CHEMBL4126474
Type:
Small organic molecule
Emp. Form.:
C20H30N4O2
Mol. Mass.:
358.4778
SMILES:
CC(C)c1cc(nnc1NCCO)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(28.06,-32.56,;28.06,-34.1,;26.72,-34.87,;29.39,-34.87,;30.72,-34.1,;32.05,-34.86,;32.06,-36.41,;30.72,-37.18,;29.39,-36.41,;28.05,-37.18,;28.05,-38.72,;26.72,-39.49,;26.72,-41.03,;33.38,-34.09,;33.38,-32.55,;34.72,-34.85,;36.06,-34.08,;37.26,-32.8,;38.58,-33.28,;39.98,-32.94,;39.99,-31.42,;38.59,-30.84,;37.24,-31.31,;37.55,-32.07,;37.56,-33.66,;38.96,-34.21,)|
Structure:
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