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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 = 'BDBM50364088'   
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))
BDBM50364088
PNG
(CHEMBL1950835)
Show SMILES CC(=O)NCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C26H34N4O4S/c1-18(31)27-11-7-20-15-22(8-12-28-20)35(32,33)21-5-6-24-23(16-21)29-25(26(2,3)4)30(24)17-19-9-13-34-14-10-19/h5-6,8,12,15-16,19H,7,9-11,13-14,17H2,1-4H3,(H,27,31)
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Article
PubMed
n/an/an/an/a 8.32E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
BindingDB Entry DOI: 10.7270/Q2JW8FBF
More data for this
Ligand-Target Pair