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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 = 'BDBM50303999'   
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))
BDBM50303999
PNG
(4-(4-Methylpiperazin-1-yl)-2-(2-naphthylmethyl)-1H...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N4/c1-2-5-18-14-16(8-9-17(18)4-1)15-21-24-19-6-3-7-20(22(19)25-21)26-12-10-23-11-13-26/h1-9,14,23H,10-13,15H2,(H,24,25)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/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))
BDBM50303999
PNG
(4-(4-Methylpiperazin-1-yl)-2-(2-naphthylmethyl)-1H...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N4/c1-2-5-18-14-16(8-9-17(18)4-1)15-21-24-19-6-3-7-20(22(19)25-21)26-12-10-23-11-13-26/h1-9,14,23H,10-13,15H2,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
49n/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