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Compile Data Set for Download or QSAR

Found 573 hits with Last Name = 'seo' and Initial = 'm'   
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))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228649
PNG
(4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
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1n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50130264
PNG
(5-(1,4-diazepan-1-yl)-2-(4-fluorophenylsulfonyl)-N...)
Show SMILES CNc1cc(ccc1S(=O)(=O)c1ccc(F)cc1)N1CCCNCC1
Show InChI InChI=1S/C18H22FN3O2S/c1-20-17-13-15(22-11-2-9-21-10-12-22)5-8-18(17)25(23,24)16-6-3-14(19)4-7-16/h3-8,13,20-21H,2,9-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50323701
PNG
(2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...)
Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2
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2n/an/an/an/an/an/an/an/a



Institut für Molekulare Physiologie

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3)


Nat Chem Biol 5: 585-92 (2009)


Article DOI: 10.1038/nchembio.188
BindingDB Entry DOI: 10.7270/Q2MP53F2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50130268
PNG
(CHEMBL329383 | N-(2,5-Dibromo-3-fluoro-phenyl)-4-m...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
Show InChI InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228656
PNG
(5,7-dichloro-3-(4-(diethylamino)phenyl)-3-methylqu...)
Show SMILES CCN(CC)c1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O |w:11.12|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-4-24(5-2)14-8-6-12(7-9-14)20(3)18(25)17-15(22)10-13(21)11-16(17)23-19(20)26/h6-11H,4-5H2,1-3H3,(H,23,26)
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9.20n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228646
PNG
(5,7-dichloro-3-(4-hydroxyphenyl)-3-methylquinoline...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO3/c1-16(8-2-4-10(20)5-3-8)14(21)13-11(18)6-9(17)7-12(13)19-15(16)22/h2-7,20H,1H3,(H,19,22)
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12.3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228671
PNG
(5,7-dichloro-3-(4-(ethylamino)phenyl)-3-methylquin...)
Show SMILES CCNc1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O |w:9.10|
Show InChI InChI=1S/C18H16Cl2N2O2/c1-3-21-12-6-4-10(5-7-12)18(2)16(23)15-13(20)8-11(19)9-14(15)22-17(18)24/h4-9,21H,3H2,1-2H3,(H,22,24)
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28.3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228648
PNG
(5,7-dichloro-3-(3-hydroxyphenyl)-3-methylquinoline...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO3/c1-16(8-3-2-4-10(20)5-8)14(21)13-11(18)6-9(17)7-12(13)19-15(16)22/h2-7,20H,1H3,(H,19,22)
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30.1n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228645
PNG
((+/-)-5,7-dichloro-3-phenyl-3-methylquinoline-2,4-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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54.7n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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55n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228666
PNG
(5-bromo-7-methoxy-3-methyl-3-phenylquinoline-2,4(1...)
Show SMILES COc1cc(Br)c2C(=O)C(C)(C(=O)Nc2c1)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C17H14BrNO3/c1-17(10-6-4-3-5-7-10)15(20)14-12(18)8-11(22-2)9-13(14)19-16(17)21/h3-9H,1-2H3,(H,19,21)
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73.2n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228657
PNG
(3-(3-bromo-4-hydroxyphenyl)-5,7-dichloro-3-methylq...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)c(Br)c1 |w:1.0|
Show InChI InChI=1S/C16H10BrCl2NO3/c1-16(7-2-3-12(21)9(17)4-7)14(22)13-10(19)5-8(18)6-11(13)20-15(16)23/h2-6,21H,1H3,(H,20,23)
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77.5n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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82.4n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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120n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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130n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228668
PNG
(5,7-dichloro-3-(4-methoxyphenyl)-3-methylquinoline...)
Show SMILES COc1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O |w:8.9|
Show InChI InChI=1S/C17H13Cl2NO3/c1-17(9-3-5-11(23-2)6-4-9)15(21)14-12(19)7-10(18)8-13(14)20-16(17)22/h3-8H,1-2H3,(H,20,22)
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147n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228664
PNG
(3-(4-aminophenyl)-5,7-dichloro-3-methylquinoline-2...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(N)cc1 |w:1.0|
Show InChI InChI=1S/C16H12Cl2N2O2/c1-16(8-2-4-10(19)5-3-8)14(21)13-11(18)6-9(17)7-12(13)20-15(16)22/h2-7H,19H2,1H3,(H,20,22)
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156n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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170n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228653
PNG
(5,7-dibromo-3-methyl-3-phenylquinoline-2,4(1H,3H)-...)
Show SMILES CC1(C(=O)Nc2cc(Br)cc(Br)c2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Br2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
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197n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228661
PNG
(5,7-dichloro-3-methyl-3-(4-(methylamino)phenyl)qui...)
Show SMILES CNc1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O |w:8.9|
Show InChI InChI=1S/C17H14Cl2N2O2/c1-17(9-3-5-11(20-2)6-4-9)15(22)14-12(19)7-10(18)8-13(14)21-16(17)23/h3-8,20H,1-2H3,(H,21,23)
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257n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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260n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT7 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228655
PNG
((S)-5,7-dichloro-3-(4-methoxyphenyl)-3-methylquino...)
Show SMILES COc1ccc(cc1)[C@]1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C17H13Cl2NO3/c1-17(9-3-5-11(23-2)6-4-9)15(21)14-12(19)7-10(18)8-13(14)20-16(17)22/h3-8H,1-2H3,(H,20,22)/t17-/m0/s1
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293n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228665
PNG
(3-(4-bromophenyl)-5,7-dichloro-3-methylquinoline-2...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(Br)cc1 |w:1.0|
Show InChI InChI=1S/C16H10BrCl2NO2/c1-16(8-2-4-9(17)5-3-8)14(21)13-11(19)6-10(18)7-12(13)20-15(16)22/h2-7H,1H3,(H,20,22)
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304n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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340n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228651
PNG
(5-chloro-7-methoxy-3-methyl-3-phenylquinoline-2,4(...)
Show SMILES COc1cc(Cl)c2C(=O)C(C)(C(=O)Nc2c1)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C17H14ClNO3/c1-17(10-6-4-3-5-7-10)15(20)14-12(18)8-11(22-2)9-13(14)19-16(17)21/h3-9H,1-2H3,(H,19,21)
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345n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228662
PNG
(5,7-dichloro-3-(4-(dimethylamino)phenyl)-3-methylq...)
Show SMILES CN(C)c1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O |w:9.10|
Show InChI InChI=1S/C18H16Cl2N2O2/c1-18(10-4-6-12(7-5-10)22(2)3)16(23)15-13(20)8-11(19)9-14(15)21-17(18)24/h4-9H,1-3H3,(H,21,24)
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346n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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460n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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512n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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530n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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600n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT7 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228652
PNG
(5-chloro-7-(dimethylamino)-3-methyl-3-phenylquinol...)
Show SMILES CN(C)c1cc(Cl)c2C(=O)C(C)(C(=O)Nc2c1)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C18H17ClN2O2/c1-18(11-7-5-4-6-8-11)16(22)15-13(19)9-12(21(2)3)10-14(15)20-17(18)23/h4-10H,1-3H3,(H,20,23)
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715n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50228647
PNG
(3-(3-(benzyloxy)phenyl)-5,7-dichloro-3-methylquino...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
Show InChI InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
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720n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228669
PNG
(5,7-dimethoxy-3-methyl-3-phenylquinoline-2,4(1H,3H...)
Show SMILES COc1cc2NC(=O)C(C)(C(=O)c2c(OC)c1)c1ccccc1 |w:8.8|
Show InChI InChI=1S/C18H17NO4/c1-18(11-7-5-4-6-8-11)16(20)15-13(19-17(18)21)9-12(22-2)10-14(15)23-3/h4-10H,1-3H3,(H,19,21)
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728n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228659
PNG
(5,7-dichloro-3-(4-chlorophenyl)-3-methylquinoline-...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(Cl)cc1 |w:1.0|
Show InChI InChI=1S/C16H10Cl3NO2/c1-16(8-2-4-9(17)5-3-8)14(21)13-11(19)6-10(18)7-12(13)20-15(16)22/h2-7H,1H3,(H,20,22)
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877n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228663
PNG
((R)-5,7-dichloro-3-(4-methoxyphenyl)-3-methylquino...)
Show SMILES COc1ccc(cc1)[C@@]1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C17H13Cl2NO3/c1-17(9-3-5-11(23-2)6-4-9)15(21)14-12(19)7-10(18)8-13(14)20-16(17)22/h3-8H,1-2H3,(H,20,22)/t17-/m1/s1
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893n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228673
PNG
(5,7-dichloro-3-(4-iodophenyl)-3-methylquinoline-2,...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(I)cc1 |w:1.0|
Show InChI InChI=1S/C16H10Cl2INO2/c1-16(8-2-4-10(19)5-3-8)14(21)13-11(18)6-9(17)7-12(13)20-15(16)22/h2-7H,1H3,(H,20,22)
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952n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228660
PNG
(3-(4-(benzyloxy)-3-bromophenyl)-5,7-dichloro-3-met...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(OCc2ccccc2)c(Br)c1 |w:1.0|
Show InChI InChI=1S/C23H16BrCl2NO3/c1-23(21(28)20-17(26)10-15(25)11-18(20)27-22(23)29)14-7-8-19(16(24)9-14)30-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,27,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228658
PNG
(5,7-dichloro-3-methyl-3-(4-nitrophenyl)quinoline-2...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(cc1)[N+]([O-])=O |w:1.0|
Show InChI InChI=1S/C16H10Cl2N2O4/c1-16(8-2-4-10(5-3-8)20(23)24)14(21)13-11(18)6-9(17)7-12(13)19-15(16)22/h2-7H,1H3,(H,19,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228654
PNG
(7-chloro-3-methyl-3-phenylquinoline-2,4(1H,3H)-dio...)
Show SMILES CC1(C(=O)Nc2cc(Cl)ccc2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H12ClNO2/c1-16(10-5-3-2-4-6-10)14(19)12-8-7-11(17)9-13(12)18-15(16)20/h2-9H,1H3,(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228650
PNG
(6,8-dibromo-3-methyl-3-phenylquinoline-2,4(1H,3H)-...)
Show SMILES CC1(C(=O)Nc2c(Br)cc(Br)cc2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Br2NO2/c1-16(9-5-3-2-4-6-9)14(20)11-7-10(17)8-12(18)13(11)19-15(16)21/h2-8H,1H3,(H,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228670
PNG
(5,7-dichloro-3-(4-hydroxy-3-nitrophenyl)-3-methylq...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)c(c1)[N+]([O-])=O |w:1.0|
Show InChI InChI=1S/C16H10Cl2N2O5/c1-16(7-2-3-12(21)11(4-7)20(24)25)14(22)13-9(18)5-8(17)6-10(13)19-15(16)23/h2-6,21H,1H3,(H,19,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228667
PNG
(3-methyl-3-phenylquinoline-2,4(1H,3H)-dione | CHEM...)
Show SMILES CC1(C(=O)Nc2ccccc2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H13NO2/c1-16(11-7-3-2-4-8-11)14(18)12-9-5-6-10-13(12)17-15(16)19/h2-10H,1H3,(H,17,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228672
PNG
(6,7-dichloro-3-methyl-3-phenylquinoline-2,4(1H,3H)...)
Show SMILES CC1(C(=O)Nc2cc(Cl)c(Cl)cc2C1=O)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)10-7-11(17)12(18)8-13(10)19-15(16)21/h2-8H,1H3,(H,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228674
PNG
(5,7-dichloro-3-(4-methoxy-3-nitrophenyl)-3-methylq...)
Show SMILES COc1ccc(cc1[N+]([O-])=O)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O |w:11.12|
Show InChI InChI=1S/C17H12Cl2N2O5/c1-17(8-3-4-13(26-2)12(5-8)21(24)25)15(22)14-10(19)6-9(18)7-11(14)20-16(17)23/h3-7H,1-2H3,(H,20,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1.33E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1.74E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228648
PNG
(5,7-dichloro-3-(3-hydroxyphenyl)-3-methylquinoline...)
Show SMILES CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
Show InChI InChI=1S/C16H11Cl2NO3/c1-16(8-3-2-4-10(20)5-8)14(21)13-11(18)6-9(17)7-12(13)19-15(16)22/h2-7,20H,1H3,(H,19,22)
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1.81E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair
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