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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50001825'   
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))
BDBM50001825
PNG
(CHEMBL97158 | SB-331711)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50001825
PNG
(CHEMBL97158 | SB-331711)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50001825
PNG
(CHEMBL97158 | SB-331711)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
PDB

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PubMed
2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair