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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 = 'BDBM50259271'   
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


(Homo sapiens (Human))
BDBM50259271
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES COc1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C24H21Cl2N3O/c1-24(2,3)23-28-21-18(22(29-23)30-4)13-17(14-9-11-15(25)12-10-14)20(27-21)16-7-5-6-8-19(16)26/h5-13H,1-4H3
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Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair