Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50432194
Substrate
n/a
Meas. Tech.
ChEMBL_950673 (CHEMBL2352676)
Ki
953±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:
BDBM50432194
Synonyms:
CHEMBL2346978
Type:
Small organic molecule
Emp. Form.:
C25H24N2O3
Mol. Mass.:
400.4697
SMILES:
COC(=O)c1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:12.11,(1.09,-40.87,;1.81,-42.23,;3.35,-42.28,;4.08,-43.64,;4.17,-40.97,;3.45,-39.61,;4.26,-38.31,;5.8,-38.36,;6.62,-37.06,;5.9,-35.7,;6.8,-34.45,;5.89,-33.2,;6.37,-31.74,;7.88,-31.42,;8.9,-32.58,;10.4,-32.26,;10.89,-30.8,;9.86,-29.65,;9.81,-30.88,;8.98,-30.94,;8.35,-29.96,;7.32,-28.82,;4.43,-33.68,;3.09,-32.92,;1.76,-33.69,;1.76,-35.23,;3.1,-36,;4.43,-35.22,;6.53,-39.71,;5.72,-41.02,)|
Structure:
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