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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'brunschwig' and Initial = 'c'   
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))
BDBM50030836
PNG
(CHEMBL3355639)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)21-14-23-22-12-11-20(24-25(21)22)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3
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n/an/a 400n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554417
PNG
(CHEMBL4758157)
Show SMILES CN1CCCN(CC1)c1nccc2[nH]c(nc12)-c1cc(F)cc(F)c1
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n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554407
PNG
(CHEMBL4746185)
Show SMILES CN1CCCN(CC1)c1nccc2[nH]c(nc12)-c1ccc(F)c(F)c1
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n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50503392
PNG
(CHEMBL4545990)
Show SMILES FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(cn4)N4CCOCC4)nc3cn2)c1
Show InChI InChI=1S/C22H20F3N7O/c23-22(24,25)14-2-1-3-15(10-14)28-20-11-17-18(13-27-20)30-21(29-17)31-19-5-4-16(12-26-19)32-6-8-33-9-7-32/h1-5,10-13H,6-9H2,(H,27,28)(H2,26,29,30,31)
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n/an/a 500n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology


J Med Chem 61: 9371-9385 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50129589
PNG
(CHEMBL3628223)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(nc12)-c1cccc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)20-14-23-25-12-11-21(24-22(20)25)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50129559
PNG
(CHEMBL3234071)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H17N3O4S2/c1-28(24,25)16-8-6-14(7-9-16)19-13-21-20-11-10-18(22-23(19)20)15-4-3-5-17(12-15)29(2,26)27/h3-13H,1-2H3
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n/an/a 900n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50250844
PNG
(CHEMBL4070191)
Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27F3N6O/c1-32-11-13-34(14-12-32)21-9-7-20(8-10-21)31-24(35)22-15-23(30-17-29-22)33(2)16-18-3-5-19(6-4-18)25(26,27)28/h3-10,15,17H,11-14,16H2,1-2H3,(H,31,35)
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n/an/a 900n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay


J Med Chem 60: 10118-10134 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01347
BindingDB Entry DOI: 10.7270/Q2RR21P5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276209
PNG
(CHEMBL4127800)
Show SMILES O=S(=O)(NCc1ccccc1)c1cccc(Nc2ccc3nccc(-c4ccncc4)c3n2)c1
Show InChI InChI=1S/C26H21N5O2S/c32-34(33,29-18-19-5-2-1-3-6-19)22-8-4-7-21(17-22)30-25-10-9-24-26(31-25)23(13-16-28-24)20-11-14-27-15-12-20/h1-17,29H,18H2,(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in HEK293 cells assessed as reduction in tail current at holding potential of -70 mV after 6 to 7 mins ...


J Med Chem 61: 5692-5703 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00648
BindingDB Entry DOI: 10.7270/Q2B85BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50129562
PNG
(CHEMBL3628220)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(cc12)-c1cccc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C23H20N2O4S2/c1-30(26,27)19-7-5-16(6-8-19)22-15-24-25-12-11-18(14-23(22)25)17-3-2-4-21(13-17)31(28,29)20-9-10-20/h2-8,11-15,20H,9-10H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50563339
PNG
(CHEMBL4756352)
Show SMILES N[C@@H](C(=O)N1CC(CNc2ccc(F)cc2)C2(CN(C2)c2cc(F)cc(F)c2)C1)c1ccc(O)cc1 |r|
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG incubated for 4 hrs by fluorescene microplate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00034
BindingDB Entry DOI: 10.7270/Q21N84VC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50563340
PNG
(CHEMBL4743418)
Show SMILES Oc1ccc(CN2CC(CNc3ccccc3)C3(CN(C3)c3ccccc3)C2)cc1
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG incubated for 4 hrs by fluorescene microplate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00034
BindingDB Entry DOI: 10.7270/Q21N84VC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554415
PNG
(CHEMBL4757759)
Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1nccc2[nH]c(cc12)-c1ccc(F)c(F)c1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50250842
PNG
(CHEMBL4088721)
Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H17F3N4O/c1-27(12-14-7-9-15(10-8-14)20(21,22)23)18-11-17(24-13-25-18)19(28)26-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,26,28)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay


J Med Chem 60: 10118-10134 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01347
BindingDB Entry DOI: 10.7270/Q2RR21P5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554412
PNG
(CHEMBL4743530)
Show SMILES Fc1ccc(cc1F)-c1nc2c(nccc2[nH]1)N1CCNCC1
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554416
PNG
(CHEMBL4778630)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1nccc2[nH]c(cc12)-c1cc(F)cc(F)c1
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50250847
PNG
(CHEMBL4088719)
Show SMILES CC(C)Oc1ccc(NC(=O)c2cc(ncn2)N(C)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)29-19-10-8-18(9-11-19)26-22(28)20-12-21(25-14-24-20)27(3)13-16-4-6-17(23)7-5-16/h4-12,14-15H,13H2,1-3H3,(H,26,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay


J Med Chem 60: 10118-10134 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01347
BindingDB Entry DOI: 10.7270/Q2RR21P5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50250845
PNG
(CHEMBL4101551)
Show SMILES CN(Cc1ccc(F)cc1)c1cc(ncn1)C(=O)Nc1nncs1
Show InChI InChI=1S/C15H13FN6OS/c1-22(7-10-2-4-11(16)5-3-10)13-6-12(17-8-18-13)14(23)20-15-21-19-9-24-15/h2-6,8-9H,7H2,1H3,(H,20,21,23)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay


J Med Chem 60: 10118-10134 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01347
BindingDB Entry DOI: 10.7270/Q2RR21P5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50129560
PNG
(CHEMBL3628216)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(cn12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H18N2O4S2/c1-28(24,25)18-9-6-15(7-10-18)20-13-22-21-11-8-17(14-23(20)21)16-4-3-5-19(12-16)29(2,26)27/h3-14H,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554410
PNG
(CHEMBL4789774)
Show SMILES CN1CCN(CC2CCN(CC2)c2nccc3[nH]c(cc23)-c2cc(F)cc(F)c2)CC1
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50503394
PNG
(CHEMBL4447741)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccnc(Nc2nc3cnc(Nc4ccc(F)c(c4)C(F)(F)F)cc3[nH]2)c1 |r|
Show InChI InChI=1S/C25H23F4N7O2/c1-13-11-36(12-14(2)38-13)23(37)15-5-6-30-21(7-15)35-24-33-19-9-22(31-10-20(19)34-24)32-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,31,32)(H2,30,33,34,35)/t13-,14+
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology


J Med Chem 61: 9371-9385 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50250843
PNG
(CHEMBL4075071)
Show SMILES CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H16F3N5O/c1-27(11-13-7-8-16(23-10-13)19(20,21)22)17-9-15(24-12-25-17)18(28)26-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,26,28)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay


J Med Chem 60: 10118-10134 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01347
BindingDB Entry DOI: 10.7270/Q2RR21P5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276210
PNG
(CHEMBL4127879)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2nccc(-c3ccncc3F)c2n1
Show InChI InChI=1S/C19H13FN4O2S/c20-16-11-22-8-6-14(16)15-7-9-23-18-5-4-17(24-19(15)18)12-2-1-3-13(10-12)27(21,25)26/h1-11H,(H2,21,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in HEK293 cells assessed as reduction in tail current at holding potential of -70 mV after 6 to 7 mins ...


J Med Chem 61: 5692-5703 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00648
BindingDB Entry DOI: 10.7270/Q2B85BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276211
PNG
(CHEMBL4128198)
Show SMILES OCCNS(=O)(=O)c1cccc(Nc2ccc3nccc(-c4ccncc4)c3n2)c1
Show InChI InChI=1S/C21H19N5O3S/c27-13-12-24-30(28,29)17-3-1-2-16(14-17)25-20-5-4-19-21(26-20)18(8-11-23-19)15-6-9-22-10-7-15/h1-11,14,24,27H,12-13H2,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in HEK293 cells assessed as reduction in tail current at holding potential of -70 mV after 6 to 7 mins ...


J Med Chem 61: 5692-5703 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00648
BindingDB Entry DOI: 10.7270/Q2B85BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276212
PNG
(CHEMBL4129258)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2nccc(-c3ccnc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in HEK293 cells assessed as reduction in tail current at holding potential of -70 mV after 6 to 7 mins ...


J Med Chem 61: 5692-5703 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00648
BindingDB Entry DOI: 10.7270/Q2B85BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554413
PNG
(CHEMBL4776200)
Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1nccc2[nH]c(nc12)-c1ccc(F)c(F)c1
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50503393
PNG
(CHEMBL4575250)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1ccnc(Nc2nc3cnc(Nc4ccc(F)c(c4)C(F)(F)F)cc3[nH]2)c1 |r|
Show InChI InChI=1S/C25H24F4N8O/c1-13-11-37(12-14(2)32-13)23(38)15-5-6-30-21(7-15)36-24-34-19-9-22(31-10-20(19)35-24)33-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14,32H,11-12H2,1-2H3,(H,31,33)(H2,30,34,35,36)/t13-,14+
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology


J Med Chem 61: 9371-9385 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50250846
PNG
(CHEMBL4083549)
Show SMILES CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1nncs1
Show InChI InChI=1S/C15H12F3N7OS/c1-25(6-9-2-3-11(19-5-9)15(16,17)18)12-4-10(20-7-21-12)13(26)23-14-24-22-8-27-14/h2-5,7-8H,6H2,1H3,(H,23,24,26)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay


J Med Chem 60: 10118-10134 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01347
BindingDB Entry DOI: 10.7270/Q2RR21P5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554414
PNG
(CHEMBL4782651)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1nccc2[nH]c(nc12)-c1cc(F)cc(F)c1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554411
PNG
(CHEMBL4760907)
Show SMILES CN1CCN(CC2CCN(CC2)c2nc(C)cc3[nH]c(nc23)-c2cc(F)cc(F)c2)CC1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554409
PNG
(CHEMBL4758653)
Show SMILES CN1CCN(CC2CCN(CC2)c2cccc3[nH]c(nc23)-c2cc(F)cc(F)c2)CC1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554408
PNG
(CHEMBL4793720)
Show SMILES CN1CCN(CC2CCN(CC2)c2nccc3[nH]c(nc23)-c2cc(F)cc(F)c2)CC1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01411
BindingDB Entry DOI: 10.7270/Q2TB1BKN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50557136
PNG
(CHEMBL4759520)
Show SMILES Cc1cc(C)n(n1)-c1nc(cc(=O)[nH]1)C(F)(F)F
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01727
BindingDB Entry DOI: 10.7270/Q2X92FZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50557135
PNG
(CHEMBL2098048 | SB-615575 | TCMDC-142445)
Show SMILES Cc1cc(C)n(n1)-c1nc(O)cc(n1)-c1ccccc1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01727
BindingDB Entry DOI: 10.7270/Q2X92FZS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50563338
PNG
(CHEMBL4764956)
Show SMILES Oc1ccc(CC(=O)N2CC(CNc3ccccc3)C3(CN(C3)c3ccccc3)C2)cc1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG incubated for 4 hrs by fluorescene microplate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00034
BindingDB Entry DOI: 10.7270/Q21N84VC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50503391
PNG
(CHEMBL4471705)
Show SMILES FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(cn4)N4CCNCC4)nc3cn2)c1
Show InChI InChI=1S/C22H21F3N8/c23-22(24,25)14-2-1-3-15(10-14)29-20-11-17-18(13-28-20)31-21(30-17)32-19-5-4-16(12-27-19)33-8-6-26-7-9-33/h1-5,10-13,26H,6-9H2,(H,28,29)(H2,27,30,31,32)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology


J Med Chem 61: 9371-9385 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50581159
PNG
(CHEMBL5082703)
Show SMILES CN(C)C(=O)O\N=C(/C#N)c1nc2ccccc2o1
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n/an/a>3.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by Ionworks electrophysiology assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00707
BindingDB Entry DOI: 10.7270/Q2P2730D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50129561
PNG
(CHEMBL3628219)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(cc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H18N2O4S2/c1-28(24,25)18-8-6-15(7-9-18)20-14-22-23-11-10-17(13-21(20)23)16-4-3-5-19(12-16)29(2,26)27/h3-14H,1-2H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair