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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'piner' 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))
BDBM50411390
PNG
(CHEMBL397222)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1
Show InChI InChI=1S/C26H27Cl2N5OS/c1-17-14-24(31-34-17)20-5-4-18-8-11-33(12-9-19(18)15-20)10-3-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,3,8-13H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411385
PNG
(CHEMBL243896)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1
Show InChI InChI=1S/C27H28N6OS/c1-19-16-25(31-34-19)24-9-8-21-10-13-33(14-11-23(21)17-24)12-3-15-35-27-30-29-26(32(27)2)22-6-4-20(18-28)5-7-22/h4-9,16-17H,3,10-15H2,1-2H3
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411387
PNG
(CHEMBL244279)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1
Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)22-5-4-19-10-13-32(14-11-21(19)17-22)12-3-15-34-26-29-28-25(31(26)2)20-6-8-23(27)9-7-20/h4-9,16-17H,3,10-15H2,1-2H3
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411382
PNG
(CHEMBL395742)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1
Show InChI InChI=1S/C27H31N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h5-10,17-18H,4,11-16H2,1-3H3
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411392
PNG
(CHEMBL390649)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C28H31F3N6S/c1-19-17-25(36(3)34-19)23-6-5-20-11-14-37(15-12-22(20)18-23)13-4-16-38-27-33-32-26(35(27)2)21-7-9-24(10-8-21)28(29,30)31/h5-10,17-18H,4,11-16H2,1-3H3
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411367
PNG
(CHEMBL242600)
Show SMILES COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C27H31N5O2S/c1-19-17-25(30-34-19)23-6-5-20-11-14-32(15-12-22(20)18-23)13-4-16-35-27-29-28-26(31(27)2)21-7-9-24(33-3)10-8-21/h5-10,17-18H,4,11-16H2,1-3H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411394
PNG
(CHEMBL244276)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5[nH]ccc5c4)n3C)CCc2c1
Show InChI InChI=1S/C28H30N6OS/c1-19-18-30-27(35-19)24-5-4-20-9-13-34(14-10-21(20)16-24)12-3-15-36-28-32-31-26(33(28)2)23-6-7-25-22(17-23)8-11-29-25/h4-8,11,16-18,29H,3,9-10,12-15H2,1-2H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411376
PNG
(CHEMBL390429)
Show SMILES COc1ccccc1-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C27H31N5O2S/c1-19-17-24(30-34-19)22-10-9-20-11-14-32(15-12-21(20)18-22)13-6-16-35-27-29-28-26(31(27)2)23-7-4-5-8-25(23)33-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411388
PNG
(CHEMBL397429)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cc5ccccc5[nH]4)n3C)CCc2c1
Show InChI InChI=1S/C28H30N6OS/c1-19-18-29-27(35-19)23-9-8-20-10-13-34(14-11-21(20)16-23)12-5-15-36-28-32-31-26(33(28)2)25-17-22-6-3-4-7-24(22)30-25/h3-4,6-9,16-18,30H,5,10-15H2,1-2H3
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411383
PNG
(CHEMBL244087)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4Cl)n3C)CCc2c1
Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)21-9-8-19-10-13-32(14-11-20(19)17-21)12-5-15-34-26-29-28-25(31(26)2)22-6-3-4-7-23(22)27/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411369
PNG
(CHEMBL243897)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C(F)(F)F)n3C)CCc2c1
Show InChI InChI=1S/C27H28F3N5OS/c1-18-16-24(33-36-18)22-5-4-19-10-13-35(14-11-21(19)17-22)12-3-15-37-26-32-31-25(34(26)2)20-6-8-23(9-7-20)27(28,29)30/h4-9,16-17H,3,10-15H2,1-2H3
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411396
PNG
(CHEMBL244278)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(Cl)c4)n3C)CCc2c1
Show InChI InChI=1S/C26H28ClN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50312272
PNG
((1S,5R/1R,5S)-1-(4-Chlorophenyl)-3-(3-{[4-methyl-5...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2)n1C
Show InChI InChI=1S/C21H24ClN5OS/c1-14-18(28-13-23-14)19-24-25-20(26(19)2)29-9-3-8-27-11-16-10-21(16,12-27)15-4-6-17(22)7-5-15/h4-7,13,16H,3,8-12H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411379
PNG
(CHEMBL244086)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1
Show InChI InChI=1S/C24H27N5OS2/c1-17-15-21(27-30-17)20-7-6-18-8-11-29(12-9-19(18)16-20)10-4-14-32-24-26-25-23(28(24)2)22-5-3-13-31-22/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411373
PNG
(CHEMBL243860)
Show SMILES CC1CCC(CC1)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C |(16.41,-46.4,;15.16,-45.51,;13.75,-46.15,;12.5,-45.26,;12.65,-43.73,;14.04,-43.08,;15.3,-43.97,;11.39,-42.84,;11.37,-41.28,;9.91,-40.84,;9.02,-42.09,;7.48,-42.1,;6.7,-40.78,;5.16,-40.79,;4.38,-39.47,;2.84,-39.48,;2.16,-38.09,;.64,-37.76,;-.57,-38.74,;-1.9,-37.98,;-3.23,-38.75,;-3.23,-40.29,;-1.9,-41.06,;-.56,-40.29,;.67,-41.25,;2.18,-40.89,;-4.57,-41.06,;-5.96,-40.44,;-6.99,-41.58,;-8.51,-41.41,;-6.24,-42.93,;-4.73,-42.61,;9.94,-43.34,;9.48,-44.81,)|
Show InChI InChI=1S/C27H37N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h9-10,17-19,22H,4-8,11-16H2,1-3H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415727
PNG
(CHEMBL1080165)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(Br)cc2)n1C |r|
Show InChI InChI=1S/C27H28BrN5S/c1-18-7-12-22-23(5-3-6-24(22)29-18)25-30-31-26(32(25)2)34-14-4-13-33-16-20-15-27(20,17-33)19-8-10-21(28)11-9-19/h3,5-12,20H,4,13-17H2,1-2H3/t20-,27+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411400
PNG
(CHEMBL244945)
Show SMILES COc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Show InChI InChI=1S/C26H30N6O2S/c1-18-15-23(30-34-18)21-6-5-19-9-12-32(13-10-20(19)16-21)11-4-14-35-26-29-28-25(31(26)2)22-7-8-24(33-3)27-17-22/h5-8,15-17H,4,9-14H2,1-3H3
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50312269
PNG
(2-methyl-5-(4-methyl-5-(3-(1-(4-(trifluoromethyl)p...)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415733
PNG
(CHEMBL1079639)
Show SMILES Cc1ccoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C23H25F3N4OS/c1-15-8-10-31-19(15)20-27-28-21(29(20)2)32-11-3-9-30-13-18-12-22(18,14-30)16-4-6-17(7-5-16)23(24,25)26/h4-8,10,18H,3,9,11-14H2,1-2H3/t18-,22+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50312271
PNG
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415734
PNG
(CHEMBL1081966)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(OC(F)(F)F)cc2)n1C
Show InChI InChI=1S/C22H24F3N5O2S/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)33-9-3-8-30-11-16-10-21(16,12-30)15-4-6-17(7-5-15)32-22(23,24)25/h4-7,13,16H,3,8-12H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411384
PNG
(CHEMBL243898)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccn4)n3C)CCc2c1
Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-28-27-24(30(25)2)22-6-3-4-11-26-22/h3-4,6-8,11,16-17H,5,9-10,12-15H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415726
PNG
(CHEMBL1081401)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H37N5S/c1-21-10-15-25-26(8-6-9-27(25)32-21)28-33-34-29(35(28)5)37-17-7-16-36-19-24-18-31(24,20-36)23-13-11-22(12-14-23)30(2,3)4/h6,8-15,24H,7,16-20H2,1-5H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415726
PNG
(CHEMBL1081401)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H37N5S/c1-21-10-15-25-26(8-6-9-27(25)32-21)28-33-34-29(35(28)5)37-17-7-16-36-19-24-18-31(24,20-36)23-13-11-22(12-14-23)30(2,3)4/h6,8-15,24H,7,16-20H2,1-5H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415727
PNG
(CHEMBL1080165)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(Br)cc2)n1C |r|
Show InChI InChI=1S/C27H28BrN5S/c1-18-7-12-22-23(5-3-6-24(22)29-18)25-30-31-26(32(25)2)34-14-4-13-33-16-20-15-27(20,17-33)19-8-10-21(28)11-9-19/h3,5-12,20H,4,13-17H2,1-2H3/t20-,27+/m0/s1
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411381
PNG
(CHEMBL395743)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1
Show InChI InChI=1S/C25H30N6OS/c1-18-16-22(28-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-27-26-24(30(25)3)23-6-4-11-29(23)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411377
PNG
(CHEMBL244280)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(F)c4)n3C)CCc2c1
Show InChI InChI=1S/C26H28FN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415726
PNG
(CHEMBL1081401)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H37N5S/c1-21-10-15-25-26(8-6-9-27(25)32-21)28-33-34-29(35(28)5)37-17-7-16-36-19-24-18-31(24,20-36)23-13-11-22(12-14-23)30(2,3)4/h6,8-15,24H,7,16-20H2,1-5H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411399
PNG
(CHEMBL245118)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C27H30F2N6S/c1-18-15-25(34(3)32-18)21-6-5-19-9-12-35(13-10-20(19)16-21)11-4-14-36-27-31-30-26(33(27)2)22-7-8-23(28)24(29)17-22/h5-8,15-17H,4,9-14H2,1-3H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415734
PNG
(CHEMBL1081966)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(OC(F)(F)F)cc2)n1C
Show InChI InChI=1S/C22H24F3N5O2S/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)33-9-3-8-30-11-16-10-21(16,12-30)15-4-6-17(7-5-15)32-22(23,24)25/h4-7,13,16H,3,8-12H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411397
PNG
(CHEMBL243708)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5nc(C)c(C)nc5c4)n3C)CCc2c1
Show InChI InChI=1S/C30H33N7OS/c1-19-16-27(35-38-19)24-7-6-22-10-13-37(14-11-23(22)17-24)12-5-15-39-30-34-33-29(36(30)4)25-8-9-26-28(18-25)32-21(3)20(2)31-26/h6-9,16-18H,5,10-15H2,1-4H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415734
PNG
(CHEMBL1081966)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(OC(F)(F)F)cc2)n1C
Show InChI InChI=1S/C22H24F3N5O2S/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)33-9-3-8-30-11-16-10-21(16,12-30)15-4-6-17(7-5-15)32-22(23,24)25/h4-7,13,16H,3,8-12H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411375
PNG
(CHEMBL244275)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1
Show InChI InChI=1S/C24H27N5OS2/c1-17-16-25-23(30-17)20-7-6-18-8-11-29(12-9-19(18)15-20)10-4-14-32-24-27-26-22(28(24)2)21-5-3-13-31-21/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411366
PNG
(CHEMBL243900)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C21H24F3N5OS/c1-14-12-18(27-30-14)17-5-4-15-6-9-29(10-7-16(15)13-17)8-3-11-31-20-26-25-19(28(20)2)21(22,23)24/h4-5,12-13H,3,6-11H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50312270
PNG
((1S,5R)-3-(3-{[5-(2,4-Dimethyl-1,3-thiazol-5-yl)-4...)
Show SMILES Cc1nc(C)c(s1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C23H26F3N5S2/c1-14-19(33-15(2)27-14)20-28-29-21(30(20)3)32-10-4-9-31-12-18-11-22(18,13-31)16-5-7-17(8-6-16)23(24,25)26/h5-8,18H,4,9-13H2,1-3H3/t18-,22+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50312267
PNG
((1S,5R)-3-(3-{[4-Methyl-5-(2-methyl-3-pyridinyl)-4...)
Show SMILES Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C24H26F3N5S/c1-16-20(5-3-10-28-16)21-29-30-22(31(21)2)33-12-4-11-32-14-19-13-23(19,15-32)17-6-8-18(9-7-17)24(25,26)27/h3,5-10,19H,4,11-15H2,1-2H3/t19-,23+/m0/s1
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n/an/a 390n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411374
PNG
(CHEMBL243474)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(C)(C)C)CCc2c1
Show InChI InChI=1S/C24H33N5OS/c1-17-15-21(27-30-17)20-8-7-18-9-12-29(13-10-19(18)16-20)11-6-14-31-23-26-25-22(28(23)5)24(2,3)4/h7-8,15-16H,6,9-14H2,1-5H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415736
PNG
(CHEMBL1079814)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2C)C(F)(F)F)n1C
Show InChI InChI=1S/C23H26F3N5OS/c1-14-9-16(23(24,25)26)5-6-18(14)22-10-17(22)11-31(12-22)7-4-8-33-21-29-28-20(30(21)3)19-15(2)27-13-32-19/h5-6,9,13,17H,4,7-8,10-12H2,1-3H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415725
PNG
(CHEMBL1079823)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(cc2)C(C)(C)C)n1C |r|
Show InChI InChI=1S/C25H33N5OS/c1-17-21(31-16-26-17)22-27-28-23(29(22)5)32-12-6-11-30-14-20-13-25(20,15-30)19-9-7-18(8-10-19)24(2,3)4/h7-10,16,20H,6,11-15H2,1-5H3/t20-,25+/m1/s1
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50312273
PNG
((1R,5S/1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)pheny...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2F)C(F)(F)F)n1C
Show InChI InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
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n/an/a 460n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50312268
PNG
((1S,5R)-3-(3-{[4-Methyl-5-(4-pyridazinyl)-4H-1,2,4...)
Show SMILES Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1 |r|
Show InChI InChI=1S/C22H23F3N6S/c1-30-19(15-7-8-26-27-12-15)28-29-20(30)32-10-2-9-31-13-18-11-21(18,14-31)16-3-5-17(6-4-16)22(23,24)25/h3-8,12,18H,2,9-11,13-14H2,1H3/t18-,21+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM21360
PNG
(7-ethoxy-3H-phenoxazin-3-one | 7-ethoxyresorufin |...)
Show SMILES CCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415714
PNG
(CHEMBL1081747)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2F)n1C
Show InChI InChI=1S/C21H23ClFN5OS/c1-13-18(29-12-24-13)19-25-26-20(27(19)2)30-7-3-6-28-10-14-9-21(14,11-28)16-5-4-15(22)8-17(16)23/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415718
PNG
(CHEMBL1082106)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Br)cc2)n1C
Show InChI InChI=1S/C21H24BrN5OS/c1-14-18(28-13-23-14)19-24-25-20(26(19)2)29-9-3-8-27-11-16-10-21(16,12-27)15-4-6-17(22)7-5-15/h4-7,13,16H,3,8-12H2,1-2H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415724
PNG
(CHEMBL1081685)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C28H28F3N5S/c1-18-7-12-22-23(5-3-6-24(22)32-18)25-33-34-26(35(25)2)37-14-4-13-36-16-21-15-27(21,17-36)19-8-10-20(11-9-19)28(29,30)31/h3,5-12,21H,4,13-17H2,1-2H3/t21-,27+/m0/s1
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411395
PNG
(CHEMBL244277)
Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1
Show InChI InChI=1S/C25H30N6OS/c1-18-17-26-24(32-18)21-8-7-19-9-13-31(14-10-20(19)16-21)12-5-15-33-25-28-27-23(30(25)3)22-6-4-11-29(22)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50411371
PNG
(CHEMBL242602)
Show SMILES Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C26H28F2N6S/c1-17-14-24(33(3)31-17)20-5-4-18-8-10-34(11-9-19(18)15-20)12-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415735
PNG
(CHEMBL1080164)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(Br)cc2)n1C |r|
Show InChI InChI=1S/C27H28BrN5S/c1-18-7-12-22-23(5-3-6-24(22)29-18)25-30-31-26(32(25)2)34-14-4-13-33-16-20-15-27(20,17-33)19-8-10-21(28)11-9-19/h3,5-12,20H,4,13-17H2,1-2H3/t20-,27+/m1/s1
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
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/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


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))
BDBM50415723
PNG
(CHEMBL1080126)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(c(F)c2)C(F)(F)F)n1C
Show InChI InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)14-4-5-16(17(23)8-14)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetidile from human ERG by scintillation proximity assay


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair
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