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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50304003'   
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))
BDBM50304003
PNG
(1-Naphthyl(4-piperazin-1-yl-1H-benzimidazol-2-yl)m...)
Show SMILES O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
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PC cid
PC sid
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13n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304003
PNG
(1-Naphthyl(4-piperazin-1-yl-1H-benzimidazol-2-yl)m...)
Show SMILES O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
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antibodypedia
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CHEMBL
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PC sid
UniChem
Article
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13n/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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304003
PNG
(1-Naphthyl(4-piperazin-1-yl-1H-benzimidazol-2-yl)m...)
Show SMILES O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
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15n/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