Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50270994
Substrate
n/a
Meas. Tech.
ChEMBL_1709635 (CHEMBL4119684)
EC50
6047±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:
BDBM50270994
Synonyms:
CHEMBL4128539
Type:
Small organic molecule
Emp. Form.:
C22H32N4O
Mol. Mass.:
368.5157
SMILES:
CC(C)c1cc(nnc1NCC1CC1)C(=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,(9.4,-34.08,;9.4,-35.62,;8.07,-36.39,;10.74,-36.39,;12.07,-35.62,;13.4,-36.39,;13.41,-37.94,;12.07,-38.71,;10.74,-37.94,;9.4,-38.71,;8.07,-37.93,;6.73,-38.7,;5.19,-38.7,;5.96,-40.04,;14.73,-35.61,;14.73,-34.07,;16.07,-36.37,;17.4,-35.6,;18.61,-34.32,;19.93,-34.81,;21.33,-34.46,;21.34,-32.94,;19.94,-32.36,;18.59,-32.83,;18.9,-33.59,;18.91,-35.18,;20.31,-35.74,)|
Structure:
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