Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50341003
Substrate
n/a
Meas. Tech.
ChEMBL_740154 (CHEMBL1763214)
EC50
11600±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:
BDBM50341003
Synonyms:
CHEMBL1762422 | Trans-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,wD:22.23,(7.53,-39.36,;6.3,-38.45,;6.48,-36.92,;7.62,-37.67,;4.89,-39.06,;3.56,-38.27,;2.4,-39.29,;.9,-38.96,;-.14,-40.09,;.32,-41.56,;-1.64,-39.76,;-1.99,-38.27,;-3.39,-37.61,;-4.8,-38.36,;-5.06,-39.83,;-4.11,-41.01,;-2.63,-41.01,;-6.55,-40.22,;-6.97,-41.7,;-7.63,-39.12,;-9.11,-39.51,;-10.19,-38.4,;-9.77,-36.92,;-10.84,-35.81,;-8.28,-36.54,;-7.21,-37.64,;3.02,-40.71,;4.55,-40.56,)|
Structure:
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