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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM232203'   
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


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins


Eur J Med Chem 173: 213-227 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.009
BindingDB Entry DOI: 10.7270/Q26M3B56
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair