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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50416000'   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416000
PNG
(CHEMBL1085585)
Show SMILES CNCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H23FN2O3S/c1-22-13-20(24)23-12-15-5-2-4-14-10-18(8-9-19(14)15)27(25,26)17-7-3-6-16(21)11-17/h3,6-11,15,22H,2,4-5,12-13H2,1H3,(H,23,24)/t15-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.158n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Bioorg Med Chem Lett 20: 3436-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.110
BindingDB Entry DOI: 10.7270/Q2GX4CT3
More data for this
Ligand-Target Pair