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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 = 'BDBM50123694'   
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))
BDBM50123694
PNG
(1-(2,4-Dichloro-phenyl)-5-(4-hydroxy-phenyl)-4-met...)
Show SMILES Cc1c(nn(c1-c1ccc(O)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(29)9-6-15/h5-10,13,29H,2-4,11-12H2,1H3,(H,26,30)
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Similars

Article
PubMed
104n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1


J Med Chem 46: 642-5 (2003)


Article DOI: 10.1021/jm020157x
BindingDB Entry DOI: 10.7270/Q27M079X
More data for this
Ligand-Target Pair