Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50432191
Substrate
n/a
Meas. Tech.
ChEMBL_950673 (CHEMBL2352676)
Ki
85±n/a nM
Citation
 Madadi, NR; Penthala, NR; Brents, LK; Ford, BM; Prather, PL; Crooks, PA Evaluation of (Z)-2-((1-benzyl-1H-indol-3-yl)methylene)-quinuclidin-3-one analogues as novel, high affinity ligands for CB1 and CB2 cannabinoid receptors. Bioorg Med Chem Lett 23:2019-21 (2013) [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:
BDBM50432191
Synonyms:
CHEMBL391430
Type:
Small organic molecule
Emp. Form.:
C23H23ClN2O
Mol. Mass.:
378.895
SMILES:
OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(28.32,-6.52,;28.34,-8.06,;29.63,-9.01,;29.78,-10.49,;28.71,-11.42,;28.58,-9.92,;30.35,-9.2,;31.09,-8.26,;27.24,-8.92,;25.7,-8.93,;24.94,-10.27,;25.85,-11.53,;24.94,-12.78,;25.71,-14.11,;27.25,-14.11,;28.01,-15.45,;29.55,-15.45,;30.32,-14.11,;31.86,-14.11,;29.54,-12.78,;28.01,-12.78,;23.46,-12.3,;22.13,-13.07,;20.79,-12.3,;20.8,-10.76,;22.13,-9.99,;23.46,-10.75,)|
Structure:
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