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Compile Data Set for Download or QSAR

Found 110 hits of ec50 data for polymerid = 2132,49000648   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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n/an/an/an/a 1.90n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by fluorescence polarization assay


ACS Med Chem Lett 5: 255-8 (2014)


Article DOI: 10.1021/ml4003293
BindingDB Entry DOI: 10.7270/Q27947P8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG current by whole cell electrophisiology study


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50117930
PNG
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)
Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
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n/an/an/an/a 25n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as reduction of tail current


Eur J Med Chem 101: 627-39 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.029
BindingDB Entry DOI: 10.7270/Q2QF8VPZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50222113
PNG
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3
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n/an/an/an/a 120n/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to hERG expressed in CHO cells by patch clamp assay


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349368
PNG
(US10207991, Ex. Cpd. No. 11 | US10611728, Example ...)
Show SMILES COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H23Cl2NO2/c1-13(4-5-14-6-7-17(21)18(22)8-14)23-11-15-9-19(24-2)20(25-3)10-16(15)12-23/h6-10,13H,4-5,11-12H2,1-3H3/t13-/m1/s1
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n/an/an/an/a 290n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50596268
PNG
(CHEMBL5203592)
Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(=O)NC(=O)CC(O)=O)c2c1 |r|
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n/an/an/an/a 500n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128499
BindingDB Entry DOI: 10.7270/Q2X06C35
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50577484
PNG
(CHEMBL4863873)
Show SMILES C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(cc1)C(F)(F)F |r|
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n/an/an/an/a 780n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50517811
PNG
(CHEMBL4576867)
Show SMILES OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-18-7-4-15(5-8-18)19-12-23-11-17(6-9-20(23)22-19)16-3-1-2-14(10-16)13-24/h1-12,24H,13H2
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n/an/an/an/a 900n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Activation of human ERG


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50577483
PNG
(CHEMBL4869437)
Show SMILES C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114807
PNG
(CHEMBL3608385)
Show SMILES Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H21F7N6O2/c1-15-10-37(14-34-15)21-7-5-16(9-23(21)41-13-26(31,32)33)19-11-39(36-35-19)22-8-6-17-18(27)3-2-4-20(17)38(24(22)40)12-25(28,29)30/h2-5,7,9-11,14,22H,6,8,12-13H2,1H3/t22-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50562042
PNG
(CHEMBL4792742)
Show SMILES COc1nc(OC)c(cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12)-c1ccc(cc1)C#N |r|
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n/an/an/an/a 1.52E+3n/an/an/an/a


TBA

Assay Description
Inhibition of fluorescently labelled tracer binding to human ERG by competitive binding assay


Citation and Details

Article DOI: 10.1039/d1md00063b
BindingDB Entry DOI: 10.7270/Q28K7DSW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50365230
PNG
(CHEMBL1956285 | US9238653, Table 5, Compound 10)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 63: 4929-4956 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00311
BindingDB Entry DOI: 10.7270/Q2M90D6Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50596267
PNG
(CHEMBL5172698)
Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(N)=O)c2c1 |r|
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n/an/an/an/a 2.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128499
BindingDB Entry DOI: 10.7270/Q2X06C35
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50596269
PNG
(CHEMBL5183842)
Show SMILES COC(=O)[C@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12 |r|
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n/an/an/an/a 2.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128499
BindingDB Entry DOI: 10.7270/Q2X06C35
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114806
PNG
(CHEMBL3609752)
Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275887
PNG
(CHEMBL470582 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES CS(=O)(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H29N5O3S2/c1-35(32,33)30-13-10-25(17-30)8-11-29(12-9-25)23-7-5-19(16-27-23)24(31)28-21-15-18(4-6-20(21)26)22-3-2-14-34-22/h2-7,14-16H,8-13,17,26H2,1H3,(H,28,31)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275888
PNG
(CHEMBL470798 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)c2ncccn2)CC1)-c1cccs1
Show InChI InChI=1S/C28H29N7OS/c29-22-6-4-20(24-3-1-16-37-24)17-23(22)33-26(36)21-5-7-25(32-18-21)34-13-8-28(9-14-34)10-15-35(19-28)27-30-11-2-12-31-27/h1-7,11-12,16-18H,8-10,13-15,19,29H2,(H,33,36)
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n/an/an/an/a 3.35E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50596270
PNG
(CHEMBL5186572)
Show SMILES COC(=O)[C@@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12 |r|
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n/an/an/an/a 4.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128499
BindingDB Entry DOI: 10.7270/Q2X06C35
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50577482
PNG
(CHEMBL4848550)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
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n/an/an/an/a 4.40E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50394745
PNG
(CHEMBL2165821)
Show SMILES CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/an/an/a 4.50E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391759
PNG
(CHEMBL2146751)
Show SMILES C[C@H](C(O)=O)c1ccc([C@@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m0/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


ACS Med Chem Lett 2: 786-791 (2011)


Article DOI: 10.1021/ml200175q
BindingDB Entry DOI: 10.7270/Q2R78G9Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357687
PNG
(CHEMBL1956112)
Show SMILES CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
Show InChI InChI=1S/C21H28N4S/c1-24-11-3-6-18(24)10-13-25-12-2-5-16-15-17(8-9-19(16)25)23-21(22)20-7-4-14-26-20/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3,(H2,22,23)/t18-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275886
PNG
(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyr...)
Show SMILES CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv11.1 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50394744
PNG
(CHEMBL2165822)
Show SMILES CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c1-22(11-12-24)9-10-23-8-2-4-15-14-16(6-7-17(15)23)21-19(20)18-5-3-13-25-18/h3,5-7,13-14,24H,2,4,8-12H2,1H3,(H2,20,21)
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n/an/an/an/a 5.80E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275941
PNG
(CHEMBL513250 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CCO)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H31N5O2S/c27-21-5-3-19(23-2-1-15-34-23)16-22(21)29-25(33)20-4-6-24(28-17-20)31-11-8-26(9-12-31)7-10-30(18-26)13-14-32/h1-6,15-17,32H,7-14,18,27H2,(H,29,33)
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n/an/an/an/a 6.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50365230
PNG
(CHEMBL1956285 | US9238653, Table 5, Compound 10)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
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n/an/an/an/a 7.00E+3n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks patch clamp electrophysiology assay


J Med Chem 63: 4929-4956 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00311
BindingDB Entry DOI: 10.7270/Q2M90D6Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50596276
PNG
(CHEMBL5207002)
Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C[C@@H]3C(O)=O)C(=O)CSc3cccs3)c2c1 |r|
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n/an/an/an/a 7.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128499
BindingDB Entry DOI: 10.7270/Q2X06C35
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349324
PNG
(US10207991, Ex. Cpd. No. 8 | US10611728, Example C...)
Show SMILES COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
Show InChI InChI=1S/C19H22FNO2/c1-13(6-7-14-8-9-18(22)19(10-14)23-2)21-11-15-4-3-5-17(20)16(15)12-21/h3-5,8-10,13,22H,6-7,11-12H2,1-2H3/t13-/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114837
PNG
(CHEMBL3609755)
Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1
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n/an/an/an/a 7.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50567108
PNG
(CHEMBL4850904)
Show SMILES Clc1ccc(CC(=O)N2CCN(CC2)c2ccc3nncn3n2)cc1Cl
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n/an/an/an/a 7.70E+3n/an/an/an/a


TBA

Assay Description
Antagonist activity at human ERG


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01136
BindingDB Entry DOI: 10.7270/Q2736VPD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50495958
PNG
(CHEMBL3121684)
Show SMILES Fc1cccc(-c2nc3cnn(Cc4ccc(nc4)-c4ccc(cc4C(F)(F)F)C(F)(F)F)cc3n2)c1F
Show InChI InChI=1S/C25H13F8N5/c26-18-3-1-2-16(22(18)27)23-36-20-10-35-38(12-21(20)37-23)11-13-4-7-19(34-9-13)15-6-5-14(24(28,29)30)8-17(15)25(31,32)33/h1-10,12H,11H2
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n/an/an/an/a 7.94E+3n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp technique


J Med Chem 57: 1964-75 (2014)


Article DOI: 10.1021/jm401337x
BindingDB Entry DOI: 10.7270/Q2DZ0C9K
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50376592
PNG
(CHEMBL406931)
Show SMILES COc1ccc2nccc(C(=O)CC[C@@H]3CCN(CC#Cc4cc(F)cc(F)c4F)C[C@@H]3C(O)=O)c2c1
Show InChI InChI=1S/C28H25F3N2O4/c1-37-20-5-6-25-22(15-20)21(8-10-32-25)26(34)7-4-17-9-12-33(16-23(17)28(35)36)11-2-3-18-13-19(29)14-24(30)27(18)31/h5-6,8,10,13-15,17,23H,4,7,9,11-12,16H2,1H3,(H,35,36)/t17-,23+/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Activation of human ERG1 isoform 1 expressed in Xenopus laevis oocytes assessed as shifting of voltage dependence of inactivation towards positive po...


Proc Natl Acad Sci USA 104: 13827-32 (2007)


Article DOI: 10.1073/pnas.0703934104
BindingDB Entry DOI: 10.7270/Q2GT5P29
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114810
PNG
(CHEMBL3609754)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)15-5-6-16(19(26)9-15)20-11-35(32-31-20)22-8-7-17-18(25)3-2-4-21(17)34(23(22)36)12-24(27,28)29/h2-6,9-11,13,22H,7-8,12H2,1H3/t22-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114805
PNG
(CHEMBL3608384)
Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
Show InChI InChI=1S/C24H20F4N6O/c1-15-11-32(14-29-15)17-7-5-16(6-8-17)20-12-34(31-30-20)22-10-9-18-19(25)3-2-4-21(18)33(23(22)35)13-24(26,27)28/h2-8,11-12,14,22H,9-10,13H2,1H3/t22-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv11.1 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349513
PNG
(US10207991, Ex. Cpd. No. 28 | US10611728, Example ...)
Show SMILES CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
Show InChI InChI=1S/C22H28FNO2/c1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24/h5-9,12,15,25H,10-11,13-14H2,1-4H3
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n/an/an/an/a 9.60E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50496206
PNG
(CHEMBL3125176)
Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H44N6O8/c1-55-41(53)45-35(29-11-5-3-6-12-29)39(51)47-25-9-15-33(47)37(49)43-31-21-17-27(18-22-31)28-19-23-32(24-20-28)44-38(50)34-16-10-26-48(34)40(52)36(46-42(54)56-2)30-13-7-4-8-14-30/h3-8,11-14,17-24,33-36H,9-10,15-16,25-26H2,1-2H3,(H,43,49)(H,44,50)(H,45,53)(H,46,54)/t33-,34-,35+,36+/m0/s1
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n/an/an/an/a 9.80E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by fluorescence polarization assay


ACS Med Chem Lett 5: 255-8 (2014)


Article DOI: 10.1021/ml4003293
BindingDB Entry DOI: 10.7270/Q27947P8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50595354
PNG
(CHEMBL5186371)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCO)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116862
BindingDB Entry DOI: 10.7270/Q2VH5STQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)22-16(19)14(17(20)24)15(21-22)12-5-4-11-9-13(23)7-6-10(11)8-12/h4-9,23H,19H2,1-3H3,(H2,20,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275986
PNG
(6-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCCN(C2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)30-12-10-26(16-30)9-3-11-31(17-26)24-8-6-20(15-28-24)25(33)29-22-14-19(5-7-21(22)27)23-4-2-13-34-23/h2,4-8,13-15H,3,9-12,16-17,27H2,1H3,(H,29,33)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275770
PNG
(CHEMBL513568 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
Show InChI InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50516235
PNG
(CHEMBL4563408)
Show SMILES FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C29H24Cl2F2N8O2/c30-17-5-8-20(9-6-17)41-25(21-3-1-2-4-22(21)31)39-24-26(35-16-36-27(24)41)40-13-11-18(12-14-40)37-29(42)38-19-7-10-23(34-15-19)43-28(32)33/h1-10,15-16,18,28H,11-14H2,(H2,37,38,42)
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from recombinant human ERG after 60 mins by scintillation counting analysis


J Med Chem 62: 6330-6345 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50517833
PNG
(CHEMBL4472621)
Show SMILES O=C(Nc1ccccc1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c24-19(21-15-6-2-1-3-7-15)17-13-23-12-14(9-10-18(23)22-17)16-8-4-5-11-20-16/h1-13H,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Activation of human ERG


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275985
PNG
(6-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-N-(2-am...)
Show SMILES CC(=O)N1CC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H27N5O2S/c1-17(31)30-15-25(16-30)8-10-29(11-9-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275885
PNG
(6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275984
PNG
(6-(7-acetyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(CCN(C2)c2ccc(cn2)C(=O)Nc2cc(ccc2N)-c2cccs2)C1
Show InChI InChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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n/an/an/an/a 1.03E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50581623
PNG
(CHEMBL5088467)
Show SMILES Cc1cnc2c(cnn2c1)-c1ccc(cc1F)C(=O)N([C@@H]1CCCNC1)c1ncccc1C |r|
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n/an/an/an/a 1.27E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00396
BindingDB Entry DOI: 10.7270/Q2XD15JR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114800
PNG
(CHEMBL3609749)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 25: 3495-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.032
BindingDB Entry DOI: 10.7270/Q2125VFP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM370489
PNG
(1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1- a]is...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1
Show InChI InChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)17(23)9-15-13-3-1-2-4-14(13)16-10-21-11-22(15)16/h1-4,10-12,15,17,23H,5-9H2
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n/an/an/an/a 1.32E+4n/an/an/an/a



NewLink Genetics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 62: 6705-6733 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00662
BindingDB Entry DOI: 10.7270/Q21G0QNZ
More data for this
Ligand-Target Pair
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