Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50270998
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:
BDBM50270998
Synonyms:
CHEMBL4127508
Type:
Small organic molecule
Emp. Form.:
C22H32N4O
Mol. Mass.:
368.5157
SMILES:
CC(C)c1cc(NCC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:26:25:23:19.20.21,THB:16:17:23:19.20.21,26:20:17.25.24:23,21:20:17:24.22.23,21:22:17:19.26.20,(49.85,-33.95,;48.52,-34.72,;47.18,-33.95,;48.52,-36.26,;47.19,-37.03,;47.19,-38.57,;45.86,-39.34,;44.52,-38.57,;43.19,-39.34,;41.66,-39.34,;42.43,-40.68,;48.52,-39.34,;49.86,-38.57,;49.86,-37.02,;51.19,-36.25,;51.18,-34.71,;52.52,-37.01,;53.86,-36.24,;55.06,-34.96,;56.38,-35.45,;57.78,-35.1,;57.79,-33.58,;56.39,-33,;55.05,-33.47,;55.36,-34.23,;55.36,-35.82,;56.77,-36.38,)|
Structure:
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