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PubMed code 19739674

Compile data set for download or QSAR
Found 39 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


(Homo sapiens (Human))		BDBM50300676
PNG
(2-(1-(5-(4-methoxyphenylsulfonamido)-1H-indol-3-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(C(C)=NN=C(N)N)c2c1 |w:21.22,(-11.39,-8.91,;-10.64,-10.25,;-9.1,-10.26,;-8.32,-8.93,;-6.78,-8.93,;-6.03,-10.28,;-6.79,-11.6,;-8.33,-11.6,;-4.49,-10.28,;-4.5,-8.74,;-3.17,-10.29,;-4.49,-11.82,;-3.15,-12.59,;-3.15,-14.14,;-1.82,-14.91,;-.48,-14.14,;.99,-14.62,;1.9,-13.36,;.99,-12.1,;1.46,-10.64,;.43,-9.5,;2.97,-10.32,;3.45,-8.85,;4.95,-8.53,;5.43,-7.07,;5.98,-9.68,;-.49,-12.58,;-1.83,-11.82,)|
Show InChI InChI=1S/C18H20N6O3S/c1-11(22-23-18(19)20)16-10-21-17-8-3-12(9-15(16)17)24-28(25,26)14-6-4-13(27-2)5-7-14/h3-10,21,24H,1-2H3,(H4,19,20,23)
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PubMed
 1n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300675
PNG
(2-(1-(5-(phenylsulfonamido)-1H-indol-3-yl)ethylide...)
Show SMILES CC(=NN=C(N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 |w:2.2,(28.57,2.48,;29.6,1.34,;31.11,1.66,;31.59,3.12,;33.09,3.44,;33.57,4.91,;34.12,2.3,;29.13,-.13,;30.04,-1.38,;29.13,-2.64,;27.66,-2.16,;26.32,-2.93,;24.99,-2.16,;24.99,-.62,;23.66,.15,;23.65,1.69,;23.64,3.23,;24.97,1.68,;22.11,1.7,;21.36,3.04,;19.82,3.05,;19.04,1.72,;19.81,.38,;21.35,.38,;26.31,.15,;27.65,-.61,)|
Show InChI InChI=1S/C17H18N6O2S/c1-11(21-22-17(18)19)15-10-20-16-8-7-12(9-14(15)16)23-26(24,25)13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H4,18,19,22)
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PubMed
 1n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300669
PNG
(2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18/h1,3,5-7,22H,2,4H2,(H4,17,18,21)/b20-11+
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 1.20n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300670
PNG
((+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5...)
Show SMILES CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
Show InChI InChI=1S/C16H16ClN7O2S2/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22)/b21-12+
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 1.60n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM21358
PNG
(2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
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 2n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
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 2.20n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300674
PNG
(6-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazo...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2CC\C(=N/NC3=NCCN3)c2c1 |t:24|
Show InChI InChI=1S/C17H16ClN7O2S2/c18-14-15(25-7-8-28-17(25)21-14)29(26,27)24-11-3-1-10-2-4-13(12(10)9-11)22-23-16-19-5-6-20-16/h1,3,7-9,24H,2,4-6H2,(H2,19,20,23)/b22-13+
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 2.20n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300671
PNG
(2-(5-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-2-3-10-8(7-9)1-4-11(10)20-21-14(17)18/h2-3,5-7,22H,1,4H2,(H4,17,18,21)/b20-11+
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 2.60n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM34156
PNG
(indenylsulfonamide, 28)
Show SMILES CN1CCC(C1)C1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:7|
Show InChI InChI=1S/C19H19ClN4O2S2/c1-23-7-6-13(11-23)15-5-3-12-2-4-14(10-16(12)15)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h2,4-5,8-10,13,22H,3,6-7,11H2,1H3
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 3n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300673
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES [#6]-[#7](-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1)S(=O)(=O)c1c(Cl)nc2sccn12 |w:9.9|
Show InChI InChI=1S/C16H16ClN7O2S2/c1-23(28(25,26)14-13(17)20-16-24(14)6-7-27-16)10-4-2-9-3-5-12(11(9)8-10)21-22-15(18)19/h2,4,6-8H,3,5H2,1H3,(H4,18,19,22)
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 4.10n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300672
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C17H18ClN7O2S2/c1-17(2)8-12(22-23-15(19)20)10-7-9(3-4-11(10)17)24-29(26,27)14-13(18)21-16-25(14)5-6-28-16/h3-7,24H,8H2,1-2H3,(H4,19,20,23)/b22-12+
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 5.20n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300667
PNG
(2-(6-{[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#8]-c2ccc(cc-12)S(=O)(=O)[#7]-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:22.24|
Show InChI InChI=1S/C19H22N6O3S/c1-25-8-9-28-18-7-5-14(11-17(18)25)29(26,27)24-13-4-2-12-3-6-16(15(12)10-13)22-23-19(20)21/h2,4-5,7,10-11,24H,3,6,8-9H2,1H3,(H4,20,21,23)
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 26n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300666
PNG
(2-{6-[(2-Naphthylsulfonyl)amino]-2,3-dihydro-1H-in...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6]-c2ccc(-[#7]S(=O)(=O)c3ccc4ccccc4c3)cc-12 |w:4.3|
Show InChI InChI=1S/C20H19N5O2S/c21-20(22)24-23-19-10-7-14-5-8-16(12-18(14)19)25-28(26,27)17-9-6-13-3-1-2-4-15(13)11-17/h1-6,8-9,11-12,25H,7,10H2,(H4,21,22,24)
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 62n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300668
PNG
(CHEMBL576967 | N-[3-(4,5-dihydro-1H-imidazol-2-ylh...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#8]-c2ccc(cc-12)S(=O)(=O)[#7]-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)-c2c1 |w:22.24|
Show InChI InChI=1S/C21H24N6O3S/c1-27-10-11-30-20-7-5-16(13-19(20)27)31(28,29)26-15-4-2-14-3-6-18(17(14)12-15)24-25-21-22-8-9-23-21/h2,4-5,7,12-13,26H,3,6,8-11H2,1H3,(H2,22,23,25)
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 70n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300671
PNG
(2-(5-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-2-3-10-8(7-9)1-4-11(10)20-21-14(17)18/h2-3,5-7,22H,1,4H2,(H4,17,18,21)/b20-11+
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n/an/a 47n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300666
PNG
(2-{6-[(2-Naphthylsulfonyl)amino]-2,3-dihydro-1H-in...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6]-c2ccc(-[#7]S(=O)(=O)c3ccc4ccccc4c3)cc-12 |w:4.3|
Show InChI InChI=1S/C20H19N5O2S/c21-20(22)24-23-19-10-7-14-5-8-16(12-18(14)19)25-28(26,27)17-9-6-13-3-1-2-4-15(13)11-17/h1-6,8-9,11-12,25H,7,10H2,(H4,21,22,24)
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n/an/a 53n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300673
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES [#6]-[#7](-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1)S(=O)(=O)c1c(Cl)nc2sccn12 |w:9.9|
Show InChI InChI=1S/C16H16ClN7O2S2/c1-23(28(25,26)14-13(17)20-16-24(14)6-7-27-16)10-4-2-9-3-5-12(11(9)8-10)21-22-15(18)19/h2,4,6-8H,3,5H2,1H3,(H4,18,19,22)
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n/an/a 54n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300670
PNG
((+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5...)
Show SMILES CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
Show InChI InChI=1S/C16H16ClN7O2S2/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22)/b21-12+
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n/an/a 58n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300669
PNG
(2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18/h1,3,5-7,22H,2,4H2,(H4,17,18,21)/b20-11+
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n/an/a 96n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300674
PNG
(6-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazo...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2CC\C(=N/NC3=NCCN3)c2c1 |t:24|
Show InChI InChI=1S/C17H16ClN7O2S2/c18-14-15(25-7-8-28-17(25)21-14)29(26,27)24-11-3-1-10-2-4-13(12(10)9-11)22-23-16-19-5-6-20-16/h1,3,7-9,24H,2,4-6H2,(H2,19,20,23)/b22-13+
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n/an/a 176n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300672
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C17H18ClN7O2S2/c1-17(2)8-12(22-23-15(19)20)10-7-9(3-4-11(10)17)24-29(26,27)14-13(18)21-16-25(14)5-6-28-16/h3-7,24H,8H2,1-2H3,(H4,19,20,23)/b22-12+
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n/an/a 238n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300667
PNG
(2-(6-{[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#8]-c2ccc(cc-12)S(=O)(=O)[#7]-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:22.24|
Show InChI InChI=1S/C19H22N6O3S/c1-25-8-9-28-18-7-5-14(11-17(18)25)29(26,27)24-13-4-2-12-3-6-16(15(12)10-13)22-23-19(20)21/h2,4-5,7,10-11,24H,3,6,8-9H2,1H3,(H4,20,21,23)
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n/an/a 581n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50300670
PNG
((+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5...)
Show SMILES CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
Show InChI InChI=1S/C16H16ClN7O2S2/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22)/b21-12+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2C receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50300672
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C17H18ClN7O2S2/c1-17(2)8-12(22-23-15(19)20)10-7-9(3-4-11(10)17)24-29(26,27)14-13(18)21-16-25(14)5-6-28-16/h3-7,24H,8H2,1-2H3,(H4,19,20,23)/b22-12+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2C receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300667
PNG
(2-(6-{[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#8]-c2ccc(cc-12)S(=O)(=O)[#7]-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:22.24|
Show InChI InChI=1S/C19H22N6O3S/c1-25-8-9-28-18-7-5-14(11-17(18)25)29(26,27)24-13-4-2-12-3-6-16(15(12)10-13)22-23-19(20)21/h2,4-5,7,10-11,24H,3,6,8-9H2,1H3,(H4,20,21,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300673
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES [#6]-[#7](-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1)S(=O)(=O)c1c(Cl)nc2sccn12 |w:9.9|
Show InChI InChI=1S/C16H16ClN7O2S2/c1-23(28(25,26)14-13(17)20-16-24(14)6-7-27-16)10-4-2-9-3-5-12(11(9)8-10)21-22-15(18)19/h2,4,6-8H,3,5H2,1H3,(H4,18,19,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50300670
PNG
((+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5...)
Show SMILES CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
Show InChI InChI=1S/C16H16ClN7O2S2/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22)/b21-12+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human SERT

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300666
PNG
(2-{6-[(2-Naphthylsulfonyl)amino]-2,3-dihydro-1H-in...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6]-c2ccc(-[#7]S(=O)(=O)c3ccc4ccccc4c3)cc-12 |w:4.3|
Show InChI InChI=1S/C20H19N5O2S/c21-20(22)24-23-19-10-7-14-5-8-16(12-18(14)19)25-28(26,27)17-9-6-13-3-1-2-4-15(13)11-17/h1-6,8-9,11-12,25H,7,10H2,(H4,21,22,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300670
PNG
((+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5...)
Show SMILES CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
Show InChI InChI=1S/C16H16ClN7O2S2/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22)/b21-12+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300672
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C17H18ClN7O2S2/c1-17(2)8-12(22-23-15(19)20)10-7-9(3-4-11(10)17)24-29(26,27)14-13(18)21-16-25(14)5-6-28-16/h3-7,24H,8H2,1-2H3,(H4,19,20,23)/b22-12+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM34156
PNG
(indenylsulfonamide, 28)
Show SMILES CN1CCC(C1)C1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:7|
Show InChI InChI=1S/C19H19ClN4O2S2/c1-23-7-6-13(11-23)15-5-3-12-2-4-14(10-16(12)15)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h2,4-5,8-10,13,22H,3,6-7,11H2,1H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5HT-stimulated cAMP production after 30 mins by HTRF ...

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50300672
PNG
(2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C17H18ClN7O2S2/c1-17(2)8-12(22-23-15(19)20)10-7-9(3-4-11(10)17)24-29(26,27)14-13(18)21-16-25(14)5-6-28-16/h3-7,24H,8H2,1-2H3,(H4,19,20,23)/b22-12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human SERT

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300671
PNG
(2-(5-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-2-3-10-8(7-9)1-4-11(10)20-21-14(17)18/h2-3,5-7,22H,1,4H2,(H4,17,18,21)/b20-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50300669
PNG
(2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18/h1,3,5-7,22H,2,4H2,(H4,17,18,21)/b20-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50300674
PNG
(6-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazo...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2CC\C(=N/NC3=NCCN3)c2c1 |t:24|
Show InChI InChI=1S/C17H16ClN7O2S2/c18-14-15(25-7-8-28-17(25)21-14)29(26,27)24-11-3-1-10-2-4-13(12(10)9-11)22-23-16-19-5-6-20-16/h1,3,7-9,24H,2,4-6H2,(H2,19,20,23)/b22-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human SERT

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50300669
PNG
(2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18/h1,3,5-7,22H,2,4H2,(H4,17,18,21)/b20-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2C receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50300669
PNG
(2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18/h1,3,5-7,22H,2,4H2,(H4,17,18,21)/b20-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human SERT

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50300674
PNG
(6-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazo...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2CC\C(=N/NC3=NCCN3)c2c1 |t:24|
Show InChI InChI=1S/C17H16ClN7O2S2/c18-14-15(25-7-8-28-17(25)21-14)29(26,27)24-11-3-1-10-2-4-13(12(10)9-11)22-23-16-19-5-6-20-16/h1,3,7-9,24H,2,4-6H2,(H2,19,20,23)/b22-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2C receptor

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM21358
PNG
(2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
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n/an/an/an/a 6.5n/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT6 receptor expressed in HeLa cells assessed as induction of cAMP production after 10 mins by radioimmunoassay

J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%