Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50303838
Substrate
n/a
Meas. Tech.
ChEMBL_594777 (CHEMBL1040738)
Ki
27±n/a nM
Citation
 Lange, JH; Coolen, HK; van der Neut, MA; Borst, AJ; Stork, B; Verveer, PC; Kruse, CG Design, synthesis, biological properties, and molecular modeling investigations of novel tacrine derivatives with a combination of acetylcholinesterase inhibition and cannabinoid CB1 receptor antagonism. J Med Chem 53:1338-46 (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:
BDBM50303838
Synonyms:
3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N-[4-(pyrrolidin-1-yl)butyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamidine | CHEMBL576673
Type:
Small organic molecule
Emp. Form.:
C30H33Cl2N5O2S
Mol. Mass.:
598.586
SMILES:
Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCN1CCCC1 |w:30.34,t:8|
Structure:
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