Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50312823
Substrate
n/a
Meas. Tech.
ChEMBL_615852 (CHEMBL1101962)
Ki
58±n/a nM
Citation
 Lange, JH; van der Neut, MA; den Hartog, AP; Wals, HC; Hoogendoorn, J; van Stuivenberg, HH; van Vliet, BJ; Kruse, CG Synthesis, SAR and intramolecular hydrogen bonding pattern of 1,3,5-trisubstituted 4,5-dihydropyrazoles as potent cannabinoid CB(1) receptor antagonists. Bioorg Med Chem Lett 20:1752-7 (2010) [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:
BDBM50312823
Synonyms:
(S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(piperidin-1-ylsulfonyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide | CHEMBL1081285
Type:
Small organic molecule
Emp. Form.:
C22H26ClN5O2S
Mol. Mass.:
459.992
SMILES:
CNC(=NS(=O)(=O)N1CCCCC1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:3.3,c:17|
Structure:
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