Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50303580
Substrate
n/a
Meas. Tech.
ChEMBL_596088 (CHEMBL1040876)
Ki
>10000±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 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50303580
Synonyms:
(trans-4-Isopropylcyclohexyl)(1-(2-morpholinoethyl)-1H-indol-3-yl)methanone | CHEMBL571344
Type:
Small organic molecule
Emp. Form.:
C24H34N2O2
Mol. Mass.:
382.539
SMILES:
CC(C)[C@H]1CC[C@@H](CC1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12 |r,wU:3.2,wD:6.9,(28.13,-14.91,;27.37,-13.57,;28.15,-12.25,;25.83,-13.56,;25.05,-14.88,;23.51,-14.87,;22.76,-13.54,;23.53,-12.2,;25.07,-12.22,;21.22,-13.53,;20.46,-12.19,;20.44,-14.85,;21.35,-16.11,;20.44,-17.36,;20.44,-18.9,;21.77,-19.68,;23.1,-18.91,;24.44,-19.69,;25.77,-18.93,;25.78,-17.39,;24.45,-16.61,;23.11,-17.38,;18.97,-16.88,;17.62,-17.65,;16.29,-16.88,;16.29,-15.33,;17.62,-14.56,;18.97,-15.33,)|
Structure:
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