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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50110944'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110944
PNG
(5-(4-Chloro-phenyl)-4-methyl-1-(4-pentyl-phenyl)-1...)
Show SMILES CCCCCc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN4O/c1-3-4-6-9-21-10-16-24(17-11-21)32-26(22-12-14-23(28)15-13-22)20(2)25(29-32)27(33)30-31-18-7-5-8-19-31/h10-17H,3-9,18-19H2,1-2H3,(H,30,33)
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Similars

Article
PubMed
1.36E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair