Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50271000
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:
BDBM50271000
Synonyms:
CHEMBL4128332
Type:
Small organic molecule
Emp. Form.:
C23H35N5O
Mol. Mass.:
397.5569
SMILES:
CC(C)c1cc(nnc1C(=O)NC1C2CC3CC(C2)CC1C3)N1CCN(C)CC1 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(30.54,-33.19,;29.21,-33.97,;27.88,-33.2,;29.22,-35.51,;27.89,-36.28,;27.89,-37.82,;29.22,-38.59,;30.56,-37.82,;30.55,-36.27,;31.88,-35.49,;31.88,-33.95,;33.22,-36.26,;34.55,-35.48,;35.76,-34.21,;37.08,-34.69,;38.48,-34.35,;38.49,-32.82,;37.09,-32.25,;35.74,-32.72,;36.05,-33.47,;36.06,-35.06,;37.46,-35.62,;26.55,-38.59,;25.23,-37.81,;23.9,-38.57,;23.89,-40.11,;22.55,-40.88,;25.22,-40.89,;26.56,-40.12,)|
Structure:
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