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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'axford' and Initial = 'j'   
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))
BDBM50465930
PNG
(CHEMBL4292990)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2cc1O
Show InChI InChI=1S/C24H30N4O/c1-23(2)14-18(15-24(3,4)27-23)28(5)22-11-10-20(25-26-22)19-12-16-8-6-7-9-17(16)13-21(19)29/h6-13,18,27,29H,14-15H2,1-5H3
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465915
PNG
(CHEMBL4281315)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2s1
Show InChI InChI=1S/C22H28N4S/c1-21(2)13-16(14-22(3,4)25-21)26(5)20-11-10-17(23-24-20)19-12-15-8-6-7-9-18(15)27-19/h6-12,16,25H,13-14H2,1-5H3
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465921
PNG
(CHEMBL4288439)
Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1
Show InChI InChI=1S/C22H27N5O2/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27/h5-12,16,26,28H,13-14H2,1-4H3
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n/an/a 230n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465926
PNG
(CHEMBL4294614)
Show SMILES Oc1cc(ccc1-c1ccc(nn1)N1CCC2(C1)CCCNC2)-c1cn[nH]c1
Show InChI InChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24)
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n/an/a 270n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465919
PNG
(CHEMBL4283397)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)C#N
Show InChI InChI=1S/C21H27N5O/c1-20(2)11-15(12-21(3,4)25-20)26(5)19-9-8-17(23-24-19)16-7-6-14(13-22)10-18(16)27/h6-10,15,25,27H,11-12H2,1-5H3
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n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465920
PNG
(CHEMBL4280558)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cccn1
Show InChI InChI=1S/C23H30N6O/c1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-9-19(25-26-21)18-8-7-16(13-20(18)30)29-12-6-11-24-29/h6-13,17,27,30H,14-15H2,1-5H3
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n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50363361
PNG
(CHEMBL1945199)
Show SMILES C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C28H36ClN7O3/c1-36(2,17-15-33-28(38)24-26(30)35-27(31)25(29)34-24)16-7-6-14-32-23(37)18-20-10-12-22(13-11-20)39-19-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3,(H5-,30,31,32,33,35,37,38)/p+1
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n/an/a 330n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human ERG channel


Bioorg Med Chem Lett 22: 929-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.016
BindingDB Entry DOI: 10.7270/Q26110SH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465916
PNG
(CHEMBL4289183)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1cc2ccccc2s1
Show InChI InChI=1S/C21H26N4S/c1-20(2)12-15(13-21(3,4)25-20)22-19-10-9-16(23-24-19)18-11-14-7-5-6-8-17(14)26-18/h5-11,15,25H,12-13H2,1-4H3,(H,22,24)
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n/an/a 600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465927
PNG
(CHEMBL4285798)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H28N4/c1-22(2)14-19(15-23(3,4)27-22)24-21-12-11-20(25-26-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,19,27H,14-15H2,1-4H3,(H,24,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465918
PNG
(CHEMBL4282391)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(F)cc1O
Show InChI InChI=1S/C20H27FN4O/c1-19(2)11-14(12-20(3,4)24-19)25(5)18-9-8-16(22-23-18)15-7-6-13(21)10-17(15)26/h6-10,14,24,26H,11-12H2,1-5H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465929
PNG
(CHEMBL4286715)
Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C19H20N6O/c26-18-5-12(13-8-21-22-9-13)1-2-16(18)17-3-4-19(24-23-17)25-10-14-6-20-7-15(14)11-25/h1-5,8-9,14-15,20,26H,6-7,10-11H2,(H,21,22)/t14-,15+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465922
PNG
(CHEMBL4277023)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2cccnc2cc1O
Show InChI InChI=1S/C23H29N5O/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29/h6-12,16,27,29H,13-14H2,1-5H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465931
PNG
(CHEMBL4290774)
Show SMILES Oc1cc(ccc1-c1ccc(OC2CCNCC2)nn1)-n1cccn1
Show InChI InChI=1S/C18H19N5O2/c24-17-12-13(23-11-1-8-20-23)2-3-15(17)16-4-5-18(22-21-16)25-14-6-9-19-10-7-14/h1-5,8,11-12,14,19,24H,6-7,9-10H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465925
PNG
(CHEMBL4283367)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1
Show InChI InChI=1S/C23H30N6O/c1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465914
PNG
(Branaplam | LMI-070 | LMI070)
Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1
Show InChI InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50363361
PNG
(CHEMBL1945199)
Show SMILES C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C28H36ClN7O3/c1-36(2,17-15-33-28(38)24-26(30)35-27(31)25(29)34-24)16-7-6-14-32-23(37)18-20-10-12-22(13-11-20)39-19-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3,(H5-,30,31,32,33,35,37,38)/p+1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by patch clamp assay


Bioorg Med Chem Lett 22: 929-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.016
BindingDB Entry DOI: 10.7270/Q26110SH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465923
PNG
(CHEMBL4279018)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2cnccc2cc1O
Show InChI InChI=1S/C23H29N5O/c1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-16-14-24-9-8-15(16)11-20(18)29/h6-11,14,17,27,29H,12-13H2,1-5H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465932
PNG
(CHEMBL4286948)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1ccc(N)n1
Show InChI InChI=1S/C23H31N7O/c1-22(2)13-16(14-23(3,4)28-22)29(5)21-9-8-18(25-26-21)17-7-6-15(12-19(17)31)30-11-10-20(24)27-30/h6-12,16,28,31H,13-14H2,1-5H3,(H2,24,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465924
PNG
(CHEMBL4291213)
Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cc(CO)cn1
Show InChI InChI=1S/C24H32N6O2/c1-23(2)11-18(12-24(3,4)28-23)29(5)22-9-8-20(26-27-22)19-7-6-17(10-21(19)32)30-14-16(15-31)13-25-30/h6-10,13-14,18,28,31-32H,11-12,15H2,1-5H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465933
PNG
(CHEMBL4279463)
Show SMILES CC1(C)CC(Cc2ccc(nn2)-c2ccc(cc2O)-c2cn[nH]c2)CC(C)(C)N1
Show InChI InChI=1S/C23H29N5O/c1-22(2)11-15(12-23(3,4)28-22)9-18-6-8-20(27-26-18)19-7-5-16(10-21(19)29)17-13-24-25-14-17/h5-8,10,13-15,28-29H,9,11-12H2,1-4H3,(H,24,25)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465928
PNG
(CHEMBL4287358)
Show SMILES CC1(C)CC(CC(C)(C)N1CC(F)(F)F)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1
Show InChI InChI=1S/C24H28F3N5O2/c1-22(2)13-17(14-23(3,4)32(22)15-24(25,26)27)34-21-9-8-19(29-30-21)18-7-6-16(12-20(18)33)31-11-5-10-28-31/h5-12,17,33H,13-15H2,1-4H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465917
PNG
(CHEMBL4277857)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4/c1-22(2)14-17(15-23(3,4)27-22)24-21-13-12-20(25-26-21)19-11-7-9-16-8-5-6-10-18(16)19/h5-13,17,27H,14-15H2,1-4H3,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50465913
PNG
(CHEMBL4278935)
Show SMILES Oc1cc(ccc1-c1ccc(OC2CCNCC2(F)F)nn1)-n1cccn1
Show InChI InChI=1S/C18H17F2N5O2/c19-18(20)11-21-8-6-16(18)27-17-5-4-14(23-24-17)13-3-2-12(10-15(13)26)25-9-1-7-22-25/h1-5,7,9-10,16,21,26H,6,8,11H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting


J Med Chem 61: 11021-11036 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01291
BindingDB Entry DOI: 10.7270/Q2474DJX
More data for this
Ligand-Target Pair