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11 similar compounds to monomer 111790

Compile data set for download or QSAR
Wt: 331.3
BDBM111785
Wt: 350.8
BDBM111765
Wt: 345.4
BDBM111787
Wt: 359.4
BDBM111788
Wt: 373.4
BDBM111789
Wt: 363.4
BDBM111791
Wt: 373.4
BDBM111792
Wt: 316.3
BDBM50340725
Wt: 350.8
BDBM50417934
Wt: 368.8
BDBM50417936
Wt: 334.3
BDBM50417920

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 111785,111765,111787,111788,111789,111791,111792,50340725,50417934,50417936,50417920   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50417934
PNG
(CHEMBL1668590 | US8829009, 1.1(7))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN4O2S/c1-9-7-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-5-11(16)8-12/h4-8H,1-3H3,(H,17,19)
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PubMed
0.186n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...


Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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0.200n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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0.257n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...


Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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0.260n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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0.260n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-HT6 receptor expressed in human HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation


J Med Chem 54: 8161-73 (2011)


Article DOI: 10.1021/jm201079g
BindingDB Entry DOI: 10.7270/Q2X067F0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50417920
PNG
(CHEMBL1668592 | US8829009, 1.1(3))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H15FN4O2S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)
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0.398n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...


Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50417936
PNG
(CHEMBL1668596 | US8829009, 1.1(9))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H14ClFN4O2S/c1-8-6-9(2)21-15(19-8)13(14(18-3)20-21)24(22,23)10-4-5-12(17)11(16)7-10/h4-7H,1-3H3,(H,18,20)
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0.603n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...


Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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1.04E+3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as inhibition of alpha-Me-serotonin-induced intracellular calcium mobi...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111791
PNG
(US8618114, 1.2.22(6).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H18FN5O2S/c1-9-13(8-18)10(2)22-16(20-9)14(15(19-3)21-22)25(23,24)12-6-4-5-11(17)7-12/h4-7H,8,18H2,1-3H3,(H,19,21)
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n/an/a 25.2n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111792
PNG
(US8618114, 1.2.22(10).HCl)
Show SMILES CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H23N5O2S/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,21)
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n/an/a 26n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111785
PNG
(US8618114, 1.2.22(1).HCl)
Show SMILES CNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H17N5O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,16H2,1-3H3,(H,17,19)
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n/an/a 0.670n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111787
PNG
(US8618114, 1.2.22(2).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
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n/an/a 0.560n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111788
PNG
(US8618114, 1.2.22(3).HCl)
Show SMILES CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)
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n/an/a 0.645n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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n/an/a 5n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of general formula 1 towards 5-HT6 receptors. Compounds of general formula 1 were tested for thei...


US Patent US8829009 (2014)


BindingDB Entry DOI: 10.7270/Q2TH8KC7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50417920
PNG
(CHEMBL1668592 | US8829009, 1.1(3))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H15FN4O2S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)
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n/an/a 6n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of general formula 1 towards 5-HT6 receptors. Compounds of general formula 1 were tested for thei...


US Patent US8829009 (2014)


BindingDB Entry DOI: 10.7270/Q2TH8KC7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50417934
PNG
(CHEMBL1668590 | US8829009, 1.1(7))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN4O2S/c1-9-7-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-5-11(16)8-12/h4-8H,1-3H3,(H,17,19)
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n/an/a 2n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of general formula 1 towards 5-HT6 receptors. Compounds of general formula 1 were tested for thei...


US Patent US8829009 (2014)


BindingDB Entry DOI: 10.7270/Q2TH8KC7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50417936
PNG
(CHEMBL1668596 | US8829009, 1.1(9))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H14ClFN4O2S/c1-8-6-9(2)21-15(19-8)13(14(18-3)20-21)24(22,23)10-4-5-12(17)11(16)7-10/h4-7H,1-3H3,(H,18,20)
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n/an/a 4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of general formula 1 towards 5-HT6 receptors. Compounds of general formula 1 were tested for thei...


US Patent US8829009 (2014)


BindingDB Entry DOI: 10.7270/Q2TH8KC7
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT2B receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by patch clamp method


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111765
PNG
(US8618114, 1.2(1))
Show SMILES CNc1nn2c(C)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15ClN4O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,17,19)
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n/an/a 52n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111789
PNG
(US8618114, 1.2.22(4).HCl)
Show SMILES CNc1nn2c(C)c(CCCN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H23N5O2S/c1-12-15(10-7-11-19)13(2)23-18(21-12)16(17(20-3)22-23)26(24,25)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11,19H2,1-3H3,(H,20,22)
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n/an/a 78n/an/an/an/an/an/a



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US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111788
PNG
(US8618114, 1.2.22(3).HCl)
Show SMILES CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)
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n/an/a 45n/an/an/an/an/an/a



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US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111785
PNG
(US8618114, 1.2.22(1).HCl)
Show SMILES CNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H17N5O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,16H2,1-3H3,(H,17,19)
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n/an/a 11.3n/an/an/an/an/an/a



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US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111787
PNG
(US8618114, 1.2.22(2).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
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US Patent
n/an/a 9n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair