Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50272598
Substrate
n/a
Meas. Tech.
ChEMBL_46450 (CHEMBL657898)
Ki
16±n/a nM
Citation
 Wrobleski, ST; Chen, P; Hynes, J; Lin, S; Norris, DJ; Pandit, CR; Spergel, S; Wu, H; Tokarski, JS; Chen, X; Gillooly, KM; Kiener, PA; McIntyre, KW; Patil-Koota, V; Shuster, DJ; Turk, LA; Yang, G; Leftheris, K Rational design and synthesis of an orally active indolopyridone as a novel conformationally constrained cannabinoid ligand possessing antiinflammatory properties. J Med Chem 46:2110-6 (2003) [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:
BDBM50272598
Synonyms:
6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-2,5-dihydro-pyrido[4,3-b]indol-1-one | 6-methoxy-5-(2-morpholinoethyl)-2-((1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)-2H-pyrido[4,3-b]indol-1(5H)-one | CHEMBL527031
Type:
Small organic molecule
Emp. Form.:
C28H37N3O3
Mol. Mass.:
463.6117
SMILES:
COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Structure:
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