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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 = 'BDBM50259494'   
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))
BDBM50259494
PNG
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-(dimethylamin...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2c3n[nH]c(=O)n3c(nc2nc1-c1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C26H25ClN6O/c1-26(2,3)24-29-22-19(23-30-31-25(34)33(23)24)14-18(15-10-12-16(13-11-15)32(4)5)21(28-22)17-8-6-7-9-20(17)27/h6-14H,1-5H3,(H,31,34)
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Article
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n/an/a 28n/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