Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50198513
Substrate
n/a
Meas. Tech.
ChEMBL_437693 (CHEMBL905968)
Ki
7.5±n/a nM
Citation
 Smith, RA; Fathi, Z; Brown, SE; Choi, S; Fan, J; Jenkins, S; Kluender, HC; Konkar, A; Lavoie, R; Mays, R; Natoli, J; O'Connor, SJ; Ortiz, AA; Podlogar, B; Taing, C; Tomlinson, S; Tritto, T; Zhang, Z Constrained analogs of CB-1 antagonists: 1,5,6,7-Tetrahydro-4H-pyrrolo[3,2-c]pyridine-4-one derivatives. Bioorg Med Chem Lett 17:673-8 (2007) [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:
BDBM50198513
Synonyms:
2-(4-chlorophenyl)-5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL396798
Type:
Small organic molecule
Emp. Form.:
C26H25Cl3N2O
Mol. Mass.:
487.848
SMILES:
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(23.24,5.12,;23.72,3.66,;25.2,3.19,;25.21,1.64,;26.54,.87,;27.89,1.64,;27.89,3.19,;29.22,3.96,;30.55,3.17,;31.88,3.94,;31.89,5.48,;30.56,6.25,;29.22,5.49,;26.54,3.97,;26.55,5.51,;23.74,1.16,;22.82,2.4,;21.29,2.39,;20.51,3.71,;18.97,3.7,;18.21,2.36,;16.67,2.35,;19,1.03,;20.54,1.05,;23.27,-.31,;21.77,-.63,;21.3,-2.1,;22.33,-3.24,;21.87,-4.7,;23.84,-2.9,;24.31,-1.44,;25.81,-1.1,)|
Structure:
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