Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50198516
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:
BDBM50198516
Synonyms:
1-(2-chlorophenyl)-5-cyclohexyl-2-(4-methoxyphenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL231096
Type:
Small organic molecule
Emp. Form.:
C27H29ClN2O2
Mol. Mass.:
448.984
SMILES:
COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1Cl |(-8.63,2.58,;-7.85,1.25,;-6.31,1.27,;-5.55,2.61,;-4.01,2.62,;-3.23,1.29,;-3.98,-.05,;-5.52,-.07,;-1.69,1.3,;-.79,2.57,;-1.28,4.03,;.68,2.1,;.69,.55,;2.03,-.22,;3.37,.55,;3.37,2.1,;4.7,2.86,;6.04,2.08,;7.37,2.84,;7.38,4.38,;6.04,5.16,;4.7,4.39,;2.03,2.87,;2.03,4.41,;-.78,.06,;-1.25,-1.4,;-2.75,-1.73,;-3.22,-3.19,;-2.18,-4.33,;-.67,-4,;-.21,-2.53,;1.29,-2.2,)|
Structure:
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