Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50270872
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:
BDBM50270872
Synonyms:
CHEMBL4128679
Type:
Small organic molecule
Emp. Form.:
C23H34N4O
Mol. Mass.:
382.5423
SMILES:
CC(C)c1cc(nnc1NC1CCCC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(7.55,-17.63,;7.55,-19.17,;6.21,-19.94,;8.88,-19.94,;10.21,-19.17,;11.54,-19.93,;11.55,-21.48,;10.21,-22.26,;8.88,-21.49,;7.54,-22.25,;7.54,-23.79,;6.3,-24.7,;6.77,-26.17,;8.31,-26.17,;8.79,-24.71,;12.87,-19.16,;12.87,-17.62,;14.21,-19.92,;15.55,-19.15,;16.75,-17.87,;18.07,-18.36,;19.47,-18.01,;19.48,-16.49,;18.08,-15.91,;16.73,-16.38,;17.04,-17.14,;17.05,-18.73,;18.45,-19.29,)|
Structure:
Search PDB for entries with ligand similarity: