Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50341002
Substrate
n/a
Meas. Tech.
ChEMBL_740154 (CHEMBL1763214)
EC50
8.4±n/a nM
Citation
 Riether, D; Wu, L; Cirillo, PF; Berry, A; Walker, ER; Ermann, M; Noya-Marino, B; Jenkins, JE; Albaugh, D; Albrecht, C; Fisher, M; Gemkow, MJ; Grbic, H; Löbbe, S; Möller, C; O'Shea, K; Sauer, A; Shih, DT; Thomson, DS 1,4-Diazepane compounds as potent and selective CB2 agonists: optimization of metabolic stability. Bioorg Med Chem Lett 21:2011-6 (2011) [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:
BDBM50341002
Synonyms:
CHEMBL1762421 | cis-N-(5-tert-butylisoxazol-3-yl)-4-(4-hydroxycyclohexanecarbonyl)-1,4-diazepane-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C20H32N4O4
Mol. Mass.:
392.4925
SMILES:
CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,22.23,(28.39,-33.64,;27.16,-32.72,;27.34,-31.19,;28.48,-31.94,;25.75,-33.33,;24.42,-32.55,;23.26,-33.57,;21.76,-33.23,;20.72,-34.37,;21.18,-35.84,;19.22,-34.03,;18.87,-32.54,;17.47,-31.89,;16.06,-32.63,;15.8,-34.11,;16.75,-35.29,;18.23,-35.29,;14.31,-34.49,;13.89,-35.98,;13.23,-33.39,;13.65,-31.91,;12.58,-30.82,;11.09,-31.19,;10.02,-30.09,;10.67,-32.68,;11.75,-33.78,;23.88,-34.98,;25.41,-34.84,)|
Structure:
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