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Target
Cannabinoid receptor 1
Ligand
BDBM50198517
Substrate
n/a
Meas. Tech.
ChEMBL_437693 (CHEMBL905968)
Ki
10±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:
BDBM50198517
Synonyms:
5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-p-tolyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230466
Type:
Small organic molecule
Emp. Form.:
C27H28Cl2N2O
Mol. Mass.:
467.43
SMILES:
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C)cc1)-c1ccc(Cl)cc1Cl |(.74,-41.76,;1.22,-43.22,;2.7,-43.69,;2.71,-45.24,;4.04,-46.01,;5.39,-45.24,;5.39,-43.69,;6.72,-42.92,;8.05,-43.71,;9.38,-42.95,;9.39,-41.41,;8.06,-40.63,;6.72,-41.4,;4.04,-42.91,;4.05,-41.37,;1.24,-45.72,;.32,-44.48,;-1.22,-44.49,;-1.99,-43.17,;-3.53,-43.18,;-4.29,-44.52,;-5.83,-44.54,;-3.5,-45.85,;-1.96,-45.83,;.77,-47.19,;-.73,-47.51,;-1.2,-48.98,;-.17,-50.12,;-.63,-51.58,;1.34,-49.78,;1.81,-48.32,;3.31,-47.98,)|
Structure:
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