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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 = 'BDBM50364087'   
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))
BDBM50364087
PNG
(CHEMBL1950834)
Show SMILES CC(=O)NCCCCCc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C29H40N4O4S/c1-21(34)30-14-7-5-6-8-23-18-25(11-15-31-23)38(35,36)24-9-10-27-26(19-24)32-28(29(2,3)4)33(27)20-22-12-16-37-17-13-22/h9-11,15,18-19,22H,5-8,12-14,16-17,20H2,1-4H3,(H,30,34)
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Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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