Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50271011
Substrate
n/a
Meas. Tech.
ChEMBL_1709635 (CHEMBL4119684)
EC50
>10000±n/a nM
Citation
 Qian, HY; Wang, ZL; Xie, XY; Pan, YL; Li, GJ; Xie, X; Chen, JZ Developing pyridazine-3-carboxamides to be CB2 agonists: The design, synthesis, structure-activity relationships and docking studies. Eur J Med Chem 137:598-611 (2017) [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:
BDBM50271011
Synonyms:
CHEMBL4126444
Type:
Small organic molecule
Emp. Form.:
C22H32N4O2
Mol. Mass.:
384.5151
SMILES:
CC(C)c1cc(nnc1N1CCOCC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20:24.22.23,17:18:20.21.27:24.23.25,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(43.66,-12.98,;43.66,-14.52,;42.33,-15.29,;44.99,-15.29,;46.32,-14.52,;47.66,-15.28,;47.66,-16.84,;46.32,-17.61,;44.99,-16.84,;43.66,-17.6,;42.33,-16.83,;41,-17.6,;40.99,-19.14,;42.32,-19.91,;43.66,-19.15,;48.99,-14.51,;48.98,-12.97,;50.32,-15.27,;51.66,-14.5,;53.11,-14.78,;54.13,-16.21,;54.01,-14.65,;54.84,-13.39,;53.79,-12.14,;53.86,-13.58,;52.29,-11.83,;51.45,-13.09,;52.45,-14.35,)|
Structure:
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