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PubMed code 16632354

Compile data set for download or QSAR
Found 61 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 2A


(Homo sapiens (Human))
BDBM50108699
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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0.420n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185775
PNG
(7-(1-(2,4-difluorophenethyl)piperazine-4-carbonyl)...)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
Show InChI InChI=1S/C22H20F2N4O/c23-17-5-4-15(20(24)12-17)6-7-27-8-10-28(11-9-27)22(29)19-3-1-2-18-16(13-25)14-26-21(18)19/h1-5,12,14,26H,6-11H2
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0.870n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185781
PNG
(4-(2,4-difluorophenethyl)-1-(2-(naphthalen-1-yl)ph...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
Show InChI InChI=1S/C29H27F2NO2S/c30-24-15-14-23(28(31)20-24)13-12-21-16-18-32(19-17-21)35(33,34)29-11-4-3-9-27(29)26-10-5-7-22-6-1-2-8-25(22)26/h1-11,14-15,20-21H,12-13,16-19H2
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185778
PNG
(8-(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfo...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C28H26F2N2O2S/c29-23-13-12-21(26(30)19-23)11-10-20-14-17-32(18-15-20)35(33,34)27-9-2-1-7-24(27)25-8-3-5-22-6-4-16-31-28(22)25/h1-9,12-13,16,19-20H,10-11,14-15,17-18H2
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2.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185784
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(quinolin...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C23H22F2N2O/c24-19-9-8-17(21(25)15-19)7-6-16-10-13-27(14-11-16)23(28)20-5-1-3-18-4-2-12-26-22(18)20/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2
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2.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185780
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2
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3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185772
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C18H19F3N2O2S/c19-15-3-5-17(6-4-15)26(24,25)23-11-9-22(10-12-23)8-7-14-1-2-16(20)13-18(14)21/h1-6,13H,7-12H2
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4.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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6.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185783
PNG
(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-18-8-7-16(19(22)13-18)6-5-15-9-11-24(12-10-15)27(25,26)20-4-2-1-3-17(20)14-23/h1-4,7-8,13,15H,5-6,9-12H2
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8.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185777
PNG
(4-(2,4-difluorophenethyl)-1-(2-fluorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-8-7-15(18(22)13-16)6-5-14-9-11-23(12-10-14)26(24,25)19-4-2-1-3-17(19)21/h1-4,7-8,13-14H,5-6,9-12H2
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9.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185773
PNG
(4-(2,4-difluorophenethyl)-1-(3-fluorophenylsulfony...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-2-1-3-18(12-16)26(24,25)23-10-8-14(9-11-23)4-5-15-6-7-17(21)13-19(15)22/h1-3,6-7,12-14H,4-5,8-11H2
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14n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185779
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1
Show InChI InChI=1S/C19H18F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-9,13H,1-2,10-12H2
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22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185785
PNG
(4-(2,4-difluorophenethyl)-4-fluoro-1-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)24-11-9-19(23,10-12-24)8-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185784
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(quinolin...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C23H22F2N2O/c24-19-9-8-17(21(25)15-19)7-6-16-10-13-27(14-11-16)23(28)20-5-1-3-18-4-2-12-26-22(18)20/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185774
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-8,13-14H,1-2,9-12H2
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185783
PNG
(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-18-8-7-16(19(22)13-18)6-5-15-9-11-24(12-10-15)27(25,26)20-4-2-1-3-17(20)14-23/h1-4,7-8,13,15H,5-6,9-12H2
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70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50108699
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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92n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185781
PNG
(4-(2,4-difluorophenethyl)-1-(2-(naphthalen-1-yl)ph...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
Show InChI InChI=1S/C29H27F2NO2S/c30-24-15-14-23(28(31)20-24)13-12-21-16-18-32(19-17-21)35(33,34)29-11-4-3-9-27(29)26-10-5-7-22-6-1-2-8-25(22)26/h1-11,14-15,20-21H,12-13,16-19H2
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96n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185780
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2
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110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185778
PNG
(8-(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfo...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C28H26F2N2O2S/c29-23-13-12-21(26(30)19-23)11-10-20-14-17-32(18-15-20)35(33,34)27-9-2-1-7-24(27)25-8-3-5-22-6-4-16-31-28(22)25/h1-9,12-13,16,19-20H,10-11,14-15,17-18H2
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184n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185777
PNG
(4-(2,4-difluorophenethyl)-1-(2-fluorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-8-7-15(18(22)13-16)6-5-14-9-11-23(12-10-14)26(24,25)19-4-2-1-3-17(19)21/h1-4,7-8,13-14H,5-6,9-12H2
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239n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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404n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185779
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1
Show InChI InChI=1S/C19H18F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-9,13H,1-2,10-12H2
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449n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185775
PNG
(7-(1-(2,4-difluorophenethyl)piperazine-4-carbonyl)...)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
Show InChI InChI=1S/C22H20F2N4O/c23-17-5-4-15(20(24)12-17)6-7-27-8-10-28(11-9-27)22(29)19-3-1-2-18-16(13-25)14-26-21(18)19/h1-5,12,14,26H,6-11H2
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557n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50108699
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2
PDB
MMDB

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710n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185785
PNG
(4-(2,4-difluorophenethyl)-4-fluoro-1-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)24-11-9-19(23,10-12-24)8-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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806n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185773
PNG
(4-(2,4-difluorophenethyl)-1-(3-fluorophenylsulfony...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-2-1-3-18(12-16)26(24,25)23-10-8-14(9-11-23)4-5-15-6-7-17(21)13-19(15)22/h1-3,6-7,12-14H,4-5,8-11H2
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997n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185781
PNG
(4-(2,4-difluorophenethyl)-1-(2-(naphthalen-1-yl)ph...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
Show InChI InChI=1S/C29H27F2NO2S/c30-24-15-14-23(28(31)20-24)13-12-21-16-18-32(19-17-21)35(33,34)29-11-4-3-9-27(29)26-10-5-7-22-6-1-2-8-25(22)26/h1-11,14-15,20-21H,12-13,16-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185773
PNG
(4-(2,4-difluorophenethyl)-1-(3-fluorophenylsulfony...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-2-1-3-18(12-16)26(24,25)23-10-8-14(9-11-23)4-5-15-6-7-17(21)13-19(15)22/h1-3,6-7,12-14H,4-5,8-11H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185774
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-8,13-14H,1-2,9-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185785
PNG
(4-(2,4-difluorophenethyl)-4-fluoro-1-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)24-11-9-19(23,10-12-24)8-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185777
PNG
(4-(2,4-difluorophenethyl)-1-(2-fluorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-8-7-15(18(22)13-16)6-5-14-9-11-23(12-10-14)26(24,25)19-4-2-1-3-17(19)21/h1-4,7-8,13-14H,5-6,9-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185778
PNG
(8-(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfo...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C28H26F2N2O2S/c29-23-13-12-21(26(30)19-23)11-10-20-14-17-32(18-15-20)35(33,34)27-9-2-1-7-24(27)25-8-3-5-22-6-4-16-31-28(22)25/h1-9,12-13,16,19-20H,10-11,14-15,17-18H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185780
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185784
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(quinolin...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C23H22F2N2O/c24-19-9-8-17(21(25)15-19)7-6-16-10-13-27(14-11-16)23(28)20-5-1-3-18-4-2-12-26-22(18)20/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185783
PNG
(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-18-8-7-16(19(22)13-18)6-5-15-9-11-24(12-10-15)27(25,26)20-4-2-1-3-17(20)14-23/h1-4,7-8,13,15H,5-6,9-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185779
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1
Show InChI InChI=1S/C19H18F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-9,13H,1-2,10-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185772
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C18H19F3N2O2S/c19-15-3-5-17(6-4-15)26(24,25)23-11-9-22(10-12-23)8-7-14-1-2-16(20)13-18(14)21/h1-6,13H,7-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185775
PNG
(7-(1-(2,4-difluorophenethyl)piperazine-4-carbonyl)...)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
Show InChI InChI=1S/C22H20F2N4O/c23-17-5-4-15(20(24)12-17)6-7-27-8-10-28(11-9-27)22(29)19-3-1-2-18-16(13-25)14-26-21(18)19/h1-5,12,14,26H,6-11H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50108699
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185775
PNG
(7-(1-(2,4-difluorophenethyl)piperazine-4-carbonyl)...)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
Show InChI InChI=1S/C22H20F2N4O/c23-17-5-4-15(20(24)12-17)6-7-27-8-10-28(11-9-27)22(29)19-3-1-2-18-16(13-25)14-26-21(18)19/h1-5,12,14,26H,6-11H2
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1.27E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185774
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-8,13-14H,1-2,9-12H2
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2.03E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185772
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C18H19F3N2O2S/c19-15-3-5-17(6-4-15)26(24,25)23-11-9-22(10-12-23)8-7-14-1-2-16(20)13-18(14)21/h1-6,13H,7-12H2
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3.79E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185772
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C18H19F3N2O2S/c19-15-3-5-17(6-4-15)26(24,25)23-11-9-22(10-12-23)8-7-14-1-2-16(20)13-18(14)21/h1-6,13H,7-12H2
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4.87E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185785
PNG
(4-(2,4-difluorophenethyl)-4-fluoro-1-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)24-11-9-19(23,10-12-24)8-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185781
PNG
(4-(2,4-difluorophenethyl)-1-(2-(naphthalen-1-yl)ph...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
Show InChI InChI=1S/C29H27F2NO2S/c30-24-15-14-23(28(31)20-24)13-12-21-16-18-32(19-17-21)35(33,34)29-11-4-3-9-27(29)26-10-5-7-22-6-1-2-8-25(22)26/h1-11,14-15,20-21H,12-13,16-19H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185778
PNG
(8-(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfo...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C28H26F2N2O2S/c29-23-13-12-21(26(30)19-23)11-10-20-14-17-32(18-15-20)35(33,34)27-9-2-1-7-24(27)25-8-3-5-22-6-4-16-31-28(22)25/h1-9,12-13,16,19-20H,10-11,14-15,17-18H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185783
PNG
(2-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-18-8-7-16(19(22)13-18)6-5-15-9-11-24(12-10-15)27(25,26)20-4-2-1-3-17(20)14-23/h1-4,7-8,13,15H,5-6,9-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185773
PNG
(4-(2,4-difluorophenethyl)-1-(3-fluorophenylsulfony...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-2-1-3-18(12-16)26(24,25)23-10-8-14(9-11-23)4-5-15-6-7-17(21)13-19(15)22/h1-3,6-7,12-14H,4-5,8-11H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185777
PNG
(4-(2,4-difluorophenethyl)-1-(2-fluorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-8-7-15(18(22)13-16)6-5-14-9-11-23(12-10-14)26(24,25)19-4-2-1-3-17(19)21/h1-4,7-8,13-14H,5-6,9-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185779
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1
Show InChI InChI=1S/C19H18F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-9,13H,1-2,10-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185784
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(quinolin...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C23H22F2N2O/c24-19-9-8-17(21(25)15-19)7-6-16-10-13-27(14-11-16)23(28)20-5-1-3-18-4-2-12-26-22(18)20/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185774
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-5-7-18(8-6-16)26(24,25)23-11-9-14(10-12-23)1-2-15-3-4-17(21)13-19(15)22/h3-8,13-14H,1-2,9-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185780
PNG
((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...)
Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2
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>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50185773
PNG
(4-(2,4-difluorophenethyl)-1-(3-fluorophenylsulfony...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-2-1-3-18(12-16)26(24,25)23-10-8-14(9-11-23)4-5-15-6-7-17(21)13-19(15)22/h1-3,6-7,12-14H,4-5,8-11H2
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n/an/a 319n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Antagonist activity against human 5HT2A transfected in CHO cells by aurora beta lactamase reporter gene assay


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%