Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50270993
Substrate
n/a
Meas. Tech.
ChEMBL_1709635 (CHEMBL4119684)
EC50
2605±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:
BDBM50270993
Synonyms:
CHEMBL4129909
Type:
Small organic molecule
Emp. Form.:
C22H34N4O
Mol. Mass.:
370.5316
SMILES:
CCCCNc1nnc(cc1C(C)C)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,(23.82,-9.85,;25.16,-9.09,;26.49,-9.86,;27.83,-9.09,;29.16,-9.86,;30.49,-9.09,;31.83,-9.86,;33.16,-9.09,;33.16,-7.54,;31.82,-6.77,;30.5,-7.54,;29.16,-6.77,;29.16,-5.23,;27.83,-7.55,;34.49,-6.76,;34.48,-5.22,;35.83,-7.53,;37.16,-6.75,;38.37,-5.48,;39.69,-5.96,;41.08,-5.61,;41.09,-4.09,;39.7,-3.51,;38.35,-3.98,;38.66,-4.74,;38.66,-6.33,;40.07,-6.89,)|
Structure:
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