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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 17 entry = 50039424   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347656
PNG
(CHEMBL1803004)
Show SMILES CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O3S/c1-27(25,26)23-17-9-7-15-8-10-20-19(21(24)18(15)12-17)11-16(13-22-20)14-5-3-2-4-6-14/h2-13,23H,1H3
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347670
PNG
(CHEMBL1802906)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(N)(=O)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C18H15N5O3S/c1-23-10-13(9-21-23)12-6-16-17(20-8-12)5-3-11-2-4-14(22-27(19,25)26)7-15(11)18(16)24/h2-10,22H,1H3,(H2,19,25,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347667
PNG
(CHEMBL1802909)
Show SMILES CN(Cc1cnccn1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H21N7O3S/c1-30-14-18(12-28-30)17-9-22-23(27-11-17)6-4-16-3-5-19(10-21(16)24(22)32)29-35(33,34)31(2)15-20-13-25-7-8-26-20/h3-14,29H,15H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347686
PNG
(CHEMBL1802602)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C19H16N4O3S/c1-23-11-14(10-21-23)13-7-17-18(20-9-13)6-4-12-3-5-15(22-27(2,25)26)8-16(12)19(17)24/h3-11,22H,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347663
PNG
(CHEMBL1802912)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CC(F)C4)cc3c(=O)c2c1
Show InChI InChI=1S/C21H18FN5O3S/c1-26-10-15(9-24-26)14-6-19-20(23-8-14)5-3-13-2-4-17(7-18(13)21(19)28)25-31(29,30)27-11-16(22)12-27/h2-10,16,25H,11-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347666
PNG
(CHEMBL1802910)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C26H23N5O3S/c1-30-17-21(15-28-30)20-12-24-25(27-14-20)11-9-19-8-10-22(13-23(19)26(24)32)29-35(33,34)31(2)16-18-6-4-3-5-7-18/h3-15,17,29H,16H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347668
PNG
(CHEMBL1802908)
Show SMILES CCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N5O3S/c1-4-27(5-2)31(29,30)25-18-8-6-15-7-9-21-20(22(28)19(15)11-18)10-16(12-23-21)17-13-24-26(3)14-17/h6-14,25H,4-5H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347669
PNG
(CHEMBL1802907)
Show SMILES CNS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C19H17N5O3S/c1-20-28(26,27)23-15-5-3-12-4-6-18-17(19(25)16(12)8-15)7-13(9-21-18)14-10-22-24(2)11-14/h3-11,20,23H,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347662
PNG
(CHEMBL1802913)
Show SMILES COCCCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N5O4S/c1-27-15-18(14-25-27)17-11-21-22(24-13-17)8-6-16-5-7-19(12-20(16)23(21)29)26-33(30,31)28(2)9-4-10-32-3/h5-8,11-15,26H,4,9-10H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347661
PNG
(CHEMBL1802914)
Show SMILES CN([C@H]1CCOC1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H23N5O4S/c1-27-13-17(12-25-27)16-9-21-22(24-11-16)6-4-15-3-5-18(10-20(15)23(21)29)26-33(30,31)28(2)19-7-8-32-14-19/h3-6,9-13,19,26H,7-8,14H2,1-2H3/t19-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347660
PNG
(CHEMBL1802915)
Show SMILES CN(C[C@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347659
PNG
(CHEMBL1802916 | MK-2461)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347664
PNG
(CHEMBL1802911)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CCC4)cc3c(=O)c2c1
Show InChI InChI=1S/C21H19N5O3S/c1-25-13-16(12-23-25)15-9-19-20(22-11-15)6-4-14-3-5-17(10-18(14)21(19)27)24-30(28,29)26-7-2-8-26/h3-6,9-13,24H,2,7-8H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv11.1 channel


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair