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Compile Data Set for Download or QSAR

Found 8763 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2'   
Target
(Institution)
LigandTarget
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327248
PNG
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50063995
PNG
(BEDAQUILINE | Bedaquiline | CHEBI:72292 | TMC207)
Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
Show InChI InChI=1/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/s2
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n/an/a 0.200n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327247
PNG
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22-
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n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327244
PNG
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1
Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18-
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n/an/a 0.260n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50034084
PNG
(CHEMBL3359220)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1
Show InChI InChI=1S/C19H24ClN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327246
PNG
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1
Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21-
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n/an/a 0.380n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082445
PNG
(CHEMBL3422978)
Show SMILES FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1
Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)17-11-19-22(31-12-17)16(4-10-30-19)3-5-25-8-6-24(7-9-25,15-37-25)32-13-18-1-2-20-23(33-18)34-21(35)14-36-20/h1-2,4,10-12,32H,3,5-9,13-15H2,(H,33,34,35)
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50321777
PNG
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)
Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327243
PNG
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1
Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17-
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n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327249
PNG
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)
Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 0.520n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50325855
PNG
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1
Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20-
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n/an/a 0.610n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327256
PNG
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19-
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n/an/a 0.620n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327250
PNG
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)
Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-
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n/an/a 0.620n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50375351
PNG
(CHEMBL259732)
Show SMILES CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1
Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3
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n/an/a 0.650n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50333594
PNG
(4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-y...)
Show SMILES O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
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n/an/a 0.670n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327264
PNG
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20-
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n/an/a 0.720n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082380
PNG
(CHEMBL3422952)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F
Show InChI InChI=1S/C26H27F2N5O4/c1-35-24-17(27)10-19-22(33-24)16(18(28)12-29-19)4-5-26-8-6-25(7-9-26,14-37-26)30-11-15-2-3-20-23(31-15)32-21(34)13-36-20/h2-3,10,12,30H,4-9,11,13-14H2,1H3,(H,31,32,34)
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n/an/a 0.730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50391763
PNG
(CHEMBL2146867)
Show SMILES CC1CN(CCc2ccc(cc2)[N+]([O-])=O)CCN1CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O4/c1-17-16-22(12-10-18-2-6-20(7-3-18)24(26)27)14-15-23(17)13-11-19-4-8-21(9-5-19)25(28)29/h2-9,17H,10-16H2,1H3
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n/an/a 0.760n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [35S]MK499 from human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50333604
PNG
(1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(ben...)
Show SMILES CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1
Show InChI InChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082429
PNG
(CHEMBL3422970)
Show SMILES Cc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N
Show InChI InChI=1S/C27H28N6O3/c1-17-19(13-28)12-21-24(31-17)18(5-11-29-21)4-6-27-9-7-26(8-10-27,16-36-27)30-14-20-2-3-22-25(32-20)33-23(34)15-35-22/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34)
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n/an/a 0.870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082385
PNG
(CHEMBL3422959)
Show InChI InChI=1S/C26H25F4N5O3/c27-18-12-31-19-9-15(26(28,29)30)10-32-22(19)17(18)3-4-25-7-5-24(6-8-25,14-38-25)33-11-16-1-2-20-23(34-16)35-21(36)13-37-20/h1-2,9-10,12,33H,3-8,11,13-14H2,(H,34,35,36)
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n/an/a 0.890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 0.900n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 0.900n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1


J Med Chem 45: 3844-53 (2002)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 0.900n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Potassium channel HERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 0.910n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open state


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 0.912n/an/an/an/an/an/a



CASMedChem Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ERG in MCF7 cells


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327268
PNG
(CHEMBL1258725 | endo-3-(8-(1,2,3,4-tetrahydronapht...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1
Show InChI InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21-,23?
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n/an/a 0.950n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50034086
PNG
(CHEMBL3359234)
Show SMILES Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Show InChI InChI=1S/C20H26ClN3O/c1-15-7-9-17(10-8-15)19-22-16(2)18(21)20(23-19)25-14-6-13-24-11-4-3-5-12-24/h7-10H,3-6,11-14H2,1-2H3
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n/an/a 0.950n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082440
PNG
(CHEMBL3422977)
Show SMILES FC(F)(F)c1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)20-4-2-18-22(33-20)16(6-12-30-18)5-7-25-10-8-24(9-11-25,15-37-25)31-13-17-1-3-19-23(32-17)34-21(35)14-36-19/h1-4,6,12,31H,5,7-11,13-15H2,(H,32,34,35)
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n/an/a 0.990n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel in HEK293 cells by voltage-clamp method


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50131433
PNG
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells


Bioorg Med Chem Lett 13: 2773-5 (2003)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082435
PNG
(CHEMBL3422976)
Show SMILES CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F
Show InChI InChI=1S/C27H31FN6O3/c1-34(2)25-19(28)13-20-23(33-25)17(6-12-29-20)5-7-27-10-8-26(9-11-27,16-37-27)30-14-18-3-4-21-24(31-18)32-22(35)15-36-21/h3-4,6,12-13,30H,5,7-11,14-16H2,1-2H3,(H,31,32,35)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082382
PNG
(CHEMBL3422954)
Show SMILES CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C28H32FN5O4/c1-3-36-23-12-17(2)24-25(34-23)19(20(29)14-30-24)6-7-28-10-8-27(9-11-28,16-38-28)31-13-18-4-5-21-26(32-18)33-22(35)15-37-21/h4-5,12,14,31H,3,6-11,13,15-16H2,1-2H3,(H,32,33,35)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50333616
PNG
(4-[(4-Methoxybenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)...)
Show SMILES COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082390
PNG
(CHEMBL3422964)
Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC
Show InChI InChI=1S/C27H31N5O5/c1-34-21-13-19-23(32-25(21)35-2)17(6-12-28-19)5-7-27-10-8-26(9-11-27,16-37-27)29-14-18-3-4-20-24(30-18)31-22(33)15-36-20/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50034089
PNG
(CHEMBL3359238)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H22ClF2N3O/c1-13-17(20)19(26-11-5-10-25-8-3-2-4-9-25)24-18(23-13)14-6-7-15(21)16(22)12-14/h6-7,12H,2-5,8-11H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50185040
PNG
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327251
PNG
(CHEMBL1258047 | endo-3-(8-(pyridin-4-ylmethyl)-8-a...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1
Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-2-1-3-18(10-15)25-19-11-16-4-5-17(12-19)23(16)13-14-6-8-22-9-7-14/h1-3,6-10,16-17,19H,4-5,11-13H2,(H2,21,24)/t16-,17+,19-
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50034088
PNG
(CHEMBL3359237)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C19H23ClFN3O/c1-14-17(20)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against IKr potassium channel


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327266
PNG
(CHEMBL1258616 | endo-3-(8-(1-(5-methylthiophen-2-y...)
Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14?,16-,17+,19-
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082394
PNG
(CHEMBL3422966)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N
Show InChI InChI=1S/C27H28N6O4/c1-35-25-18(13-28)12-20-23(33-25)17(5-11-29-20)4-6-27-9-7-26(8-10-27,16-37-27)30-14-19-2-3-21-24(31-19)32-22(34)15-36-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,31,32,34)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50333611
PNG
(4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl](methyl...)
Show SMILES CCN(CC)CCN(C)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082383
PNG
(CHEMBL3422957)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O4/c1-38-24-17(27(29,30)31)10-19-22(36-24)16(18(28)12-32-19)4-5-26-8-6-25(7-9-26,14-40-26)33-11-15-2-3-20-23(34-15)35-21(37)13-39-20/h2-3,10,12,33H,4-9,11,13-14H2,1H3,(H,34,35,37)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50333615
PNG
(4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082388
PNG
(CHEMBL3422962)
Show SMILES O=C1COc2ccc(CNC34CCC(CCc5c(cnc6ccc(nc56)C#N)C#N)(CC3)OC4)nc2N1
Show InChI InChI=1S/C27H25N7O3/c28-11-17-13-30-21-3-1-18(12-29)32-24(21)20(17)5-6-27-9-7-26(8-10-27,16-37-27)31-14-19-2-4-22-25(33-19)34-23(35)15-36-22/h1-4,13,31H,5-10,14-16H2,(H,33,34,35)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50378146
PNG
(CHEMBL1204009)
Show SMILES CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N
Show InChI InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3/t26-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50082427
PNG
(CHEMBL3422968)
Show SMILES COc1cc(OC)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H31N5O5/c1-34-20-13-22(35-2)32-23-17(6-12-28-24(20)23)5-7-27-10-8-26(9-11-27,16-37-27)29-14-18-3-4-19-25(30-18)31-21(33)15-36-19/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50327274
PNG
(CHEMBL1257227 | endo-3-(8-((S)-1-phenylethyl)-8-az...)
Show SMILES C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
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