Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50392574
Substrate
n/a
Meas. Tech.
ChEMBL_854393 (CHEMBL2154764)
Ki
151.1±n/a nM
Citation
 Pasquini, S; De Rosa, M; Ligresti, A; Mugnaini, C; Brizzi, A; Caradonna, NP; Cascio, MG; Bolognini, D; Pertwee, RG; Di Marzo, V; Corelli, F Investigations on the 4-quinolone-3-carboxylic acid motif. 6. Synthesis and pharmacological evaluation of 7-substituted quinolone-3-carboxamide derivatives as high affinity ligands for cannabinoid receptors. Eur J Med Chem 58:30-43 (2012) [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:
BDBM50392574
Synonyms:
CHEMBL2152825
Type:
Small organic molecule
Emp. Form.:
C28H33N3O2S
Mol. Mass.:
475.646
SMILES:
CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc12 |(41.89,-47.58,;40.56,-48.35,;39.22,-47.58,;37.89,-48.36,;36.56,-47.59,;36.55,-46.05,;37.9,-45.27,;37.89,-43.72,;39.22,-42.94,;39.22,-41.4,;40.56,-43.71,;41.89,-42.93,;41.7,-41.55,;43.16,-40.91,;44.51,-41.51,;44.79,-42.91,;43.42,-42.28,;43.68,-40.38,;43.23,-39.27,;36.54,-42.94,;36.53,-41.4,;35.2,-43.73,;33.87,-42.96,;32.54,-43.73,;32.54,-45.28,;31.2,-46.05,;29.87,-45.28,;29.88,-43.74,;28.55,-42.97,;27.21,-43.74,;27.22,-45.28,;28.55,-46.05,;33.87,-46.05,;35.21,-45.28,)|
Structure:
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