Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50195511
Substrate
n/a
Meas. Tech.
ChEMBL_414848 (CHEMBL855029)
Ki
37.5±n/a nM
Citation
 Manera, C; Benetti, V; Castelli, MP; Cavallini, T; Lazzarotti, S; Pibiri, F; Saccomanni, G; Tuccinardi, T; Vannacci, A; Martinelli, A; Ferrarini, PL Design, synthesis, and biological evaluation of new 1,8-naphthyridin-4(1H)-on-3-carboxamide and quinolin-4(1H)-on-3-carboxamide derivatives as CB2 selective agonists. J Med Chem 49:5947-57 (2006) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_MOUSE | Cannabinoid CB1 receptor | Cannabinoid receptor | Cnr1
Type:
Enzyme
Mol. Mass.:
52842.52
Organism:
Mus musculus (Mouse)
Description:
P47746
Residue:
473
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEDNIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50195511
Synonyms:
CHEMBL217549 | N-(4'-methylcyclohexyl)-1-(o-fluorobenzyl)-7-methyl-1,8-naphthyridin-4(1H)-on-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H26FN3O2
Mol. Mass.:
407.4805
SMILES:
CC1CCC(CC1)NC(=O)c1cn(Cc2ccccc2F)c2nc(C)ccc2c1=O |(6.82,-7.93,;5.48,-8.69,;5.47,-10.23,;4.13,-10.99,;2.8,-10.21,;2.8,-8.67,;4.15,-7.91,;1.46,-10.97,;.13,-10.2,;.13,-8.66,;-1.21,-10.97,;-1.21,-12.52,;-2.56,-13.29,;-2.56,-14.83,;-1.23,-15.6,;-1.24,-17.14,;.08,-17.92,;1.42,-17.15,;1.42,-15.6,;.09,-14.84,;.09,-13.3,;-3.89,-12.52,;-5.22,-13.28,;-6.56,-12.51,;-7.89,-13.28,;-6.55,-10.97,;-5.23,-10.2,;-3.89,-10.96,;-2.55,-10.18,;-2.55,-8.64,)|
Structure:
Search PDB for entries with ligand similarity: