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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'fluxe' and Initial = 'aj'   
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 A member 5


(Homo sapiens (Human))
BDBM50198247
PNG
(2-(3,4-dimethylphenyl)-3-(4-methoxyphenethyl)-2-me...)
Show SMILES COc1ccc(CCN2C(=O)CSC2(C)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C21H25NO2S/c1-15-5-8-18(13-16(15)2)21(3)22(20(23)14-25-21)12-11-17-6-9-19(24-4)10-7-17/h5-10,13H,11-12,14H2,1-4H3
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n/an/a 69n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198249
PNG
(2-(3,4-dimethylphenyl)-3-(4-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C19H21NO3S/c1-13-4-7-16(10-14(13)2)19-20(18(21)12-24-19)23-11-15-5-8-17(22-3)9-6-15/h4-10,19H,11-12H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198255
PNG
(2-(3,4-dichlorophenyl)-3-(4-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-22-13-5-2-11(3-6-13)9-23-20-16(21)10-24-17(20)12-4-7-14(18)15(19)8-12/h2-8,17H,9-10H2,1H3
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n/an/a 113n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50099574
PNG
(2-(3,4-Dimethyl-phenyl)-3-[2-(4-methoxy-phenyl)-et...)
Show SMILES COc1ccc(CCN2C(SCC2=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C20H23NO2S/c1-14-4-7-17(12-15(14)2)20-21(19(22)13-24-20)11-10-16-5-8-18(23-3)9-6-16/h4-9,12,20H,10-11,13H2,1-3H3
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n/an/a 137n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198261
PNG
(1-(2-(3,4-dimethylphenyl)thiazolidin-3-yl)-3-(4-me...)
Show SMILES COc1ccc(CCC(=O)N2CCSC2c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C21H25NO2S/c1-15-4-8-18(14-16(15)2)21-22(12-13-25-21)20(23)11-7-17-5-9-19(24-3)10-6-17/h4-6,8-10,14,21H,7,11-13H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198260
PNG
(1-(2-(3,4-dimethylphenyl)thiazolidin-3-yl)-2-pheno...)
Show SMILES Cc1ccc(cc1C)C1SCCN1C(=O)COc1ccccc1
Show InChI InChI=1S/C19H21NO2S/c1-14-8-9-16(12-15(14)2)19-20(10-11-23-19)18(21)13-22-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13H2,1-2H3
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n/an/a 162n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198254
PNG
(2-(3,4-dimethylphenyl)-3-(2-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccccc1CON1C(SCC1=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H21NO3S/c1-13-8-9-15(10-14(13)2)19-20(18(21)12-24-19)23-11-16-6-4-5-7-17(16)22-3/h4-10,19H,11-12H2,1-3H3
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n/an/a 177n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198257
PNG
(2-(3,4-dichlorophenyl)-3-(3-methoxybenzyloxy)thiaz...)
Show SMILES COc1cccc(CON2C(SCC2=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-22-13-4-2-3-11(7-13)9-23-20-16(21)10-24-17(20)12-5-6-14(18)15(19)8-12/h2-8,17H,9-10H2,1H3
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n/an/a 179n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198256
PNG
(2-(4-chlorophenyl)-3-(4-methoxybenzyloxy)thiazolid...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H16ClNO3S/c1-21-15-8-2-12(3-9-15)10-22-19-16(20)11-23-17(19)13-4-6-14(18)7-5-13/h2-9,17H,10-11H2,1H3
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n/an/a 187n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198244
PNG
(2-(3,4-dichlorophenyl)-3-(2-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccccc1CON1C(SCC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-22-15-5-3-2-4-12(15)9-23-20-16(21)10-24-17(20)11-6-7-13(18)14(19)8-11/h2-8,17H,9-10H2,1H3
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n/an/a 204n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198258
PNG
(3-(benzyloxy)-2-(3,4-dimethylphenyl)thiazolidin-4-...)
Show SMILES Cc1ccc(cc1C)C1SCC(=O)N1OCc1ccccc1
Show InChI InChI=1S/C18H19NO2S/c1-13-8-9-16(10-14(13)2)18-19(17(20)12-22-18)21-11-15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3
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n/an/a 207n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198252
PNG
(2-(3,4-dimethylphenyl)-3-(3-methoxybenzyloxy)thiaz...)
Show SMILES COc1cccc(CON2C(SCC2=O)c2ccc(C)c(C)c2)c1
Show InChI InChI=1S/C19H21NO3S/c1-13-7-8-16(9-14(13)2)19-20(18(21)12-24-19)23-11-15-5-4-6-17(10-15)22-3/h4-10,19H,11-12H2,1-3H3
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n/an/a 269n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198248
PNG
(2-(4-chlorophenyl)-3-(3-methoxybenzyloxy)thiazolid...)
Show SMILES COc1cccc(CON2C(SCC2=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H16ClNO3S/c1-21-15-4-2-3-12(9-15)10-22-19-16(20)11-23-17(19)13-5-7-14(18)8-6-13/h2-9,17H,10-11H2,1H3
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n/an/a 380n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198246
PNG
(3-(4-methoxyphenethyl)-2-methyl-2-p-tolylthiazolid...)
Show SMILES COc1ccc(CCN2C(=O)CSC2(C)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C20H23NO2S/c1-15-4-8-17(9-5-15)20(2)21(19(22)14-24-20)13-12-16-6-10-18(23-3)11-7-16/h4-11H,12-14H2,1-3H3
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n/an/a 390n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198259
PNG
(3-(benzyloxy)-2-(3,4-dichlorophenyl)thiazolidin-4-...)
Show SMILES Clc1ccc(cc1Cl)C1SCC(=O)N1OCc1ccccc1
Show InChI InChI=1S/C16H13Cl2NO2S/c17-13-7-6-12(8-14(13)18)16-19(15(20)10-22-16)21-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2
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n/an/a 463n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198251
PNG
(3'-(4-methoxyphenethyl)-4-methyl-2,3-dihydrospiro[...)
Show SMILES COc1ccc(CCN2C(=O)CSC22CCc3c2cccc3C)cc1
Show InChI InChI=1S/C21H23NO2S/c1-15-4-3-5-19-18(15)10-12-21(19)22(20(23)14-25-21)13-11-16-6-8-17(24-2)9-7-16/h3-9H,10-14H2,1-2H3
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n/an/a 487n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198250
PNG
(1-(2-(3,4-dimethylphenyl)thiazolidin-3-yl)-2-(4-me...)
Show SMILES COc1ccc(CC(=O)N2CCSC2c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C20H23NO2S/c1-14-4-7-17(12-15(14)2)20-21(10-11-24-20)19(22)13-16-5-8-18(23-3)9-6-16/h4-9,12,20H,10-11,13H2,1-3H3
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n/an/a 537n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198245
PNG
(5-chloro-3'-(4-methoxyphenethyl)-2,3-dihydrospiro[...)
Show SMILES COc1ccc(CCN2C(=O)CSC22CCc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C20H20ClNO2S/c1-24-17-5-2-14(3-6-17)9-11-22-19(23)13-25-20(22)10-8-15-12-16(21)4-7-18(15)20/h2-7,12H,8-11,13H2,1H3
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n/an/a 812n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198253
PNG
(3-(4-methoxybenzyloxy)-2-phenylthiazolidin-4-one |...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H17NO3S/c1-20-15-9-7-13(8-10-15)11-21-18-16(19)12-22-17(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
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n/an/a 924n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50198243
PNG
(3-(benzyloxy)-2-(4-chlorophenyl)thiazolidin-4-one ...)
Show SMILES Clc1ccc(cc1)C1SCC(=O)N1OCc1ccccc1
Show InChI InChI=1S/C16H14ClNO2S/c17-14-8-6-13(7-9-14)16-18(15(19)11-21-16)20-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
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n/an/a 997n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair