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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50304000'   
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))
BDBM50304000
PNG
(4-(4-Methylpiperazin-1-yl)-2-(1-naphthylmethyl)-1H...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3cccc4ccccc34)nc12
Show InChI InChI=1S/C23H24N4/c1-26-12-14-27(15-13-26)21-11-5-10-20-23(21)25-22(24-20)16-18-8-4-7-17-6-2-3-9-19(17)18/h2-11H,12-16H2,1H3,(H,24,25)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304000
PNG
(4-(4-Methylpiperazin-1-yl)-2-(1-naphthylmethyl)-1H...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3cccc4ccccc34)nc12
Show InChI InChI=1S/C23H24N4/c1-26-12-14-27(15-13-26)21-11-5-10-20-23(21)25-22(24-20)16-18-8-4-7-17-6-2-3-9-19(17)18/h2-11H,12-16H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
36.2n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair