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PubMed code 26996373

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Universidad de Guanajuato

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from rat 5-Ht6 receptor expressed in HEK cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2333-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.036
BindingDB Entry DOI: 10.7270/Q20R9SDH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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100n/an/an/an/an/an/an/an/a



Universidad de Guanajuato

Curated by ChEMBL


Assay Description
Binding affinity to 5-Ht6 receptor (unknown origin)


Bioorg Med Chem Lett 26: 2333-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.036
BindingDB Entry DOI: 10.7270/Q20R9SDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Universidad de Guanajuato

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant rat 5-Ht6 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2333-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.036
BindingDB Entry DOI: 10.7270/Q20R9SDH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Universidad de Guanajuato

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from recombinant rat 5-Ht6 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2333-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.036
BindingDB Entry DOI: 10.7270/Q20R9SDH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM50500913
PNG
(CHEMBL3799903)
Show SMILES COc1cccc(C(N2CCc3c(CC2=O)[nH]c2ccccc32)C(=O)NC(C)(C)C)c1OC
Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)28-25(31)23(18-10-8-12-21(32-4)24(18)33-5)29-14-13-17-16-9-6-7-11-19(16)27-20(17)15-22(29)30/h6-12,23,27H,13-15H2,1-5H3,(H,28,31)
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211n/an/an/an/an/an/an/an/a



Universidad de Guanajuato

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from rat 5-Ht6 receptor expressed in HEK cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2333-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.036
BindingDB Entry DOI: 10.7270/Q20R9SDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%