Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50303581
Substrate
n/a
Meas. Tech.
ChEMBL_596087 (CHEMBL1040875)
Ki
16±n/a nM
Citation
 Frost, JM; Dart, MJ; Tietje, KR; Garrison, TR; Grayson, GK; Daza, AV; El-Kouhen, OF; Yao, BB; Hsieh, GC; Pai, M; Zhu, CZ; Chandran, P; Meyer, MD Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity. J Med Chem 53:295-315 (2010) [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:
BDBM50303581
Synonyms:
(trans-4-Ethylcyclohexyl)(1-(2-morpholinoethyl)-1H-indol-3-yl)-methanone | CHEMBL584738
Type:
Small organic molecule
Emp. Form.:
C23H32N2O2
Mol. Mass.:
368.5124
SMILES:
CC[C@H]1CC[C@@H](CC1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12 |r,wU:2.1,wD:5.8,(12.82,-14.33,;12.06,-12.99,;10.52,-12.98,;9.74,-14.3,;8.21,-14.29,;7.45,-12.95,;8.22,-11.62,;9.76,-11.64,;5.91,-12.95,;5.15,-11.61,;5.13,-14.27,;6.04,-15.53,;5.13,-16.78,;5.13,-18.32,;6.46,-19.09,;7.79,-18.33,;9.13,-19.11,;10.46,-18.35,;10.47,-16.81,;9.14,-16.03,;7.8,-16.8,;3.66,-16.3,;2.32,-17.07,;.98,-16.3,;.98,-14.75,;2.32,-13.97,;3.66,-14.75,)|
Structure:
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