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PubMed code 20304642

Compile data set for download or QSAR
Found 41 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
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315563
PNG
(CHEMBL1088844 | {[(1S,2S,5R)-5-methyl-2-(propan-2-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315564
PNG
(2-morpholino-1,1,2-triphenylethanol | CHEMBL109186...)
Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c26-24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23(20-10-4-1-5-11-20)25-16-18-27-19-17-25/h1-15,23,26H,16-19H2
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n/an/a 204n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315582
PNG
(2-phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)et...)
Show SMILES OC(C(N1CCCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2
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n/an/a 206n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315578
PNG
(2-(diethylamino)-2-phenyl-1,1-di(pyridin-3-yl)etha...)
Show SMILES CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3
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n/an/a 234n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315568
PNG
(2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol ...)
Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H23N3O2/c26-22(19-8-4-10-23-16-19,20-9-5-11-24-17-20)21(18-6-2-1-3-7-18)25-12-14-27-15-13-25/h1-11,16-17,21,26H,12-15H2
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n/an/a 256n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315583
PNG
(2-phenyl-1,1-di(pyridin-3-yl)-2-(pyrrolidin-1-yl)e...)
Show SMILES OC(C(N1CCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H23N3O/c26-22(19-10-6-12-23-16-19,20-11-7-13-24-17-20)21(25-14-4-5-15-25)18-8-2-1-3-9-18/h1-3,6-13,16-17,21,26H,4-5,14-15H2
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n/an/a 284n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315580
PNG
(2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-di(pyridin-3-yl...)
Show SMILES OC(C(N1CCCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2
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n/an/a 517n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315579
PNG
(2-((2-methoxyethyl)(methyl)amino)-2-phenyl-1,1-di(...)
Show SMILES COCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H25N3O2/c1-25(14-15-27-2)21(18-8-4-3-5-9-18)22(26,19-10-6-12-23-16-19)20-11-7-13-24-17-20/h3-13,16-17,21,26H,14-15H2,1-2H3
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n/an/a 583n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315576
PNG
(2-(dimethylamino)-2-phenyl-1,1-di(pyridin-3-yl)eth...)
Show SMILES CN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C20H21N3O/c1-23(2)19(16-8-4-3-5-9-16)20(24,17-10-6-12-21-14-17)18-11-7-13-22-15-18/h3-15,19,24H,1-2H3
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n/an/a 850n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315570
PNG
(3-methyl-2-morpholino-1,1-di(pyridin-3-yl)butan-1-...)
Show SMILES CC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C19H25N3O2/c1-15(2)18(22-9-11-24-12-10-22)19(23,16-5-3-7-20-13-16)17-6-4-8-21-14-17/h3-8,13-15,18,23H,9-12H2,1-2H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315577
PNG
(2-(azetidin-1-yl)-2-phenyl-1,1-di(pyridin-3-yl)eth...)
Show SMILES OC(C(N1CCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C21H21N3O/c25-21(18-9-4-11-22-15-18,19-10-5-12-23-16-19)20(24-13-6-14-24)17-7-2-1-3-8-17/h1-5,7-12,15-16,20,25H,6,13-14H2
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n/an/a 2.22E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315581
PNG
(2-phenyl-2-(piperazin-1-yl)-1,1-di(pyridin-3-yl)et...)
Show SMILES OC(C(N1CCNCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H24N4O/c27-22(19-8-4-10-24-16-19,20-9-5-11-25-17-20)21(18-6-2-1-3-7-18)26-14-12-23-13-15-26/h1-11,16-17,21,23,27H,12-15H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315572
PNG
(2-morpholino-1,1-di(pyridin-3-yl)hexan-1-ol | CHEM...)
Show SMILES CCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C20H27N3O2/c1-2-3-8-19(23-11-13-25-14-12-23)20(24,17-6-4-9-21-15-17)18-7-5-10-22-16-18/h4-7,9-10,15-16,19,24H,2-3,8,11-14H2,1H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315567
PNG
(3-methyl-2-morpholino-1,1-diphenylbutan-1-ol | CHE...)
Show SMILES CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315573
PNG
(2-morpholino-1,1-di(pyridin-3-yl)octan-1-ol | CHEM...)
Show SMILES CCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-4-5-10-21(25-13-15-27-16-14-25)22(26,19-8-6-11-23-17-19)20-9-7-12-24-18-20/h6-9,11-12,17-18,21,26H,2-5,10,13-16H2,1H3
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n/an/a 3.36E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315579
PNG
(2-((2-methoxyethyl)(methyl)amino)-2-phenyl-1,1-di(...)
Show SMILES COCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H25N3O2/c1-25(14-15-27-2)21(18-8-4-3-5-9-18)22(26,19-10-6-12-23-16-19)20-11-7-13-24-17-20/h3-13,16-17,21,26H,14-15H2,1-2H3
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n/an/a 3.45E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315580
PNG
(2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-di(pyridin-3-yl...)
Show SMILES OC(C(N1CCCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2
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n/an/a 3.55E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315571
PNG
(2-morpholino-3-phenyl-1,1-di(pyridin-3-yl)propan-1...)
Show SMILES OC(C(Cc1ccccc1)N1CCOCC1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O2/c27-23(20-8-4-10-24-17-20,21-9-5-11-25-18-21)22(26-12-14-28-15-13-26)16-19-6-2-1-3-7-19/h1-11,17-18,22,27H,12-16H2
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n/an/a 4.95E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315574
PNG
(2-phenyl-1,1-di(pyridin-3-yl)ethanol | CHEMBL10888...)
Show SMILES OC(Cc1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C18H16N2O/c21-18(16-8-4-10-19-13-16,17-9-5-11-20-14-17)12-15-6-2-1-3-7-15/h1-11,13-14,21H,12H2
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n/an/a 7.11E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315581
PNG
(2-phenyl-2-(piperazin-1-yl)-1,1-di(pyridin-3-yl)et...)
Show SMILES OC(C(N1CCNCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H24N4O/c27-22(19-8-4-10-24-16-19,20-9-5-11-25-17-20)21(18-6-2-1-3-7-18)26-14-12-23-13-15-26/h1-11,16-17,21,23,27H,12-15H2
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n/an/a 7.94E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315582
PNG
(2-phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)et...)
Show SMILES OC(C(N1CCCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315577
PNG
(2-(azetidin-1-yl)-2-phenyl-1,1-di(pyridin-3-yl)eth...)
Show SMILES OC(C(N1CCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C21H21N3O/c25-21(18-9-4-11-22-15-18,19-10-5-12-23-16-19)20(24-13-6-14-24)17-7-2-1-3-8-17/h1-5,7-12,15-16,20,25H,6,13-14H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315571
PNG
(2-morpholino-3-phenyl-1,1-di(pyridin-3-yl)propan-1...)
Show SMILES OC(C(Cc1ccccc1)N1CCOCC1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H25N3O2/c27-23(20-8-4-10-24-17-20,21-9-5-11-25-18-21)22(26-12-14-28-15-13-26)16-19-6-2-1-3-7-19/h1-11,17-18,22,27H,12-16H2
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n/an/a 1.52E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315575
PNG
(2-amino-2-phenyl-1,1-di(pyridin-3-yl)ethanol | CHE...)
Show SMILES NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C18H17N3O/c19-17(14-6-2-1-3-7-14)18(22,15-8-4-10-20-12-15)16-9-5-11-21-13-16/h1-13,17,22H,19H2
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n/an/a 1.64E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315583
PNG
(2-phenyl-1,1-di(pyridin-3-yl)-2-(pyrrolidin-1-yl)e...)
Show SMILES OC(C(N1CCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H23N3O/c26-22(19-10-6-12-23-16-19,20-11-7-13-24-17-20)21(25-14-4-5-15-25)18-8-2-1-3-9-18/h1-3,6-13,16-17,21,26H,4-5,14-15H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315573
PNG
(2-morpholino-1,1-di(pyridin-3-yl)octan-1-ol | CHEM...)
Show SMILES CCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-4-5-10-21(25-13-15-27-16-14-25)22(26,19-8-6-11-23-17-19)20-9-7-12-24-18-20/h6-9,11-12,17-18,21,26H,2-5,10,13-16H2,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315567
PNG
(3-methyl-2-morpholino-1,1-diphenylbutan-1-ol | CHE...)
Show SMILES CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
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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 human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315572
PNG
(2-morpholino-1,1-di(pyridin-3-yl)hexan-1-ol | CHEM...)
Show SMILES CCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C20H27N3O2/c1-2-3-8-19(23-11-13-25-14-12-23)20(24,17-6-4-9-21-15-17)18-7-5-10-22-16-18/h4-7,9-10,15-16,19,24H,2-3,8,11-14H2,1H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315569
PNG
(2-morpholino-1,1-di(pyridin-3-yl)propan-1-ol | CHE...)
Show SMILES CC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C17H21N3O2/c1-14(20-8-10-22-11-9-20)17(21,15-4-2-6-18-12-15)16-5-3-7-19-13-16/h2-7,12-14,21H,8-11H2,1H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315566
PNG
(2-methyl-1-morpholino-1-phenylpropan-2-ol | CHEMBL...)
Show SMILES CC(C)(O)C(N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C14H21NO2/c1-14(2,16)13(12-6-4-3-5-7-12)15-8-10-17-11-9-15/h3-7,13,16H,8-11H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315565
PNG
(2-morpholino-2-phenylethanol | CHEMBL1090791)
Show SMILES OCC(N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H17NO2/c14-10-12(11-4-2-1-3-5-11)13-6-8-15-9-7-13/h1-5,12,14H,6-10H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315575
PNG
(2-amino-2-phenyl-1,1-di(pyridin-3-yl)ethanol | CHE...)
Show SMILES NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C18H17N3O/c19-17(14-6-2-1-3-7-14)18(22,15-8-4-10-20-12-15)16-9-5-11-21-13-16/h1-13,17,22H,19H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315565
PNG
(2-morpholino-2-phenylethanol | CHEMBL1090791)
Show SMILES OCC(N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H17NO2/c14-10-12(11-4-2-1-3-5-11)13-6-8-15-9-7-13/h1-5,12,14H,6-10H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315566
PNG
(2-methyl-1-morpholino-1-phenylpropan-2-ol | CHEMBL...)
Show SMILES CC(C)(O)C(N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C14H21NO2/c1-14(2,16)13(12-6-4-3-5-7-12)15-8-10-17-11-9-15/h3-7,13,16H,8-11H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315574
PNG
(2-phenyl-1,1-di(pyridin-3-yl)ethanol | CHEMBL10888...)
Show SMILES OC(Cc1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C18H16N2O/c21-18(16-8-4-10-19-13-16,17-9-5-11-20-14-17)12-15-6-2-1-3-7-15/h1-11,13-14,21H,12H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50315569
PNG
(2-morpholino-1,1-di(pyridin-3-yl)propan-1-ol | CHE...)
Show SMILES CC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C17H21N3O2/c1-14(20-8-10-22-11-9-20)17(21,15-4-2-6-18-12-15)16-5-3-7-19-13-16/h2-7,12-14,21H,8-11H2,1H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315568
PNG
(2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol ...)
Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H23N3O2/c26-22(19-8-4-10-23-16-19,20-9-5-11-24-17-20)21(18-6-2-1-3-7-18)25-12-14-27-15-13-25/h1-11,16-17,21,26H,12-15H2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315576
PNG
(2-(dimethylamino)-2-phenyl-1,1-di(pyridin-3-yl)eth...)
Show SMILES CN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C20H21N3O/c1-23(2)19(16-8-4-3-5-9-16)20(24,17-10-6-12-21-14-17)18-11-7-13-22-15-18/h3-15,19,24H,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315578
PNG
(2-(diethylamino)-2-phenyl-1,1-di(pyridin-3-yl)etha...)
Show SMILES CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315564
PNG
(2-morpholino-1,1,2-triphenylethanol | CHEMBL109186...)
Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c26-24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23(20-10-4-1-5-11-20)25-16-18-27-19-17-25/h1-15,23,26H,16-19H2
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n/an/a>6.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315570
PNG
(3-methyl-2-morpholino-1,1-di(pyridin-3-yl)butan-1-...)
Show SMILES CC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C19H25N3O2/c1-15(2)18(22-9-11-24-12-10-22)19(23,16-5-3-7-20-13-16)17-6-4-8-21-14-17/h3-8,13-15,18,23H,9-12H2,1-2H3
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PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%