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Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with all data for entry = 50031375   
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))
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))
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))
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))
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))
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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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))
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))
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))
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))
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))
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))
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))
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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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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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))
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))
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))
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415721
PNG
(CHEMBL1081686)
Show SMILES Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccc1 |r|
Show InChI InChI=1S/C24H25F3N4S/c1-30-21(17-6-3-2-4-7-17)28-29-22(30)32-13-5-12-31-15-20-14-23(20,16-31)18-8-10-19(11-9-18)24(25,26)27/h2-4,6-11,20H,5,12-16H2,1H3/t20-,23+/m0/s1
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n/an/a 631n/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))
BDBM50415722
PNG
(CHEMBL1081580)
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+/m1/s1
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n/an/a 631n/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))
BDBM50415711
PNG
(CHEMBL1079824)
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+/m0/s1
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n/an/a 631n/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))
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 631n/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))
BDBM50415719
PNG
(CHEMBL1079577)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C28H28N6S/c1-19-7-12-23-24(5-3-6-25(23)30-19)26-31-32-27(33(26)2)35-14-4-13-34-17-22-15-28(22,18-34)21-10-8-20(16-29)9-11-21/h3,5-12,22H,4,13-15,17-18H2,1-2H3
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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))
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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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 794n/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))
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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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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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))
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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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))
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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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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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 794n/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))
BDBM50415717
PNG
(CHEMBL1079480)
Show SMILES Cc1cnc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C23H25F3N6S/c1-15-11-28-19(12-27-15)20-29-30-21(31(20)2)33-9-3-8-32-13-18-10-22(18,14-32)16-4-6-17(7-5-16)23(24,25)26/h4-7,11-12,18H,3,8-10,13-14H2,1-2H3/t18-,22+/m0/s1
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n/an/a 794n/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))
BDBM50415716
PNG
(CHEMBL1079640)
Show SMILES Cc1ccc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C24H26F3N5S/c1-16-4-5-17(13-28-16)21-29-30-22(31(21)2)33-11-3-10-32-14-20-12-23(20,15-32)18-6-8-19(9-7-18)24(25,26)27/h4-9,13,20H,3,10-12,14-15H2,1-2H3/t20-,23+/m0/s1
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n/an/a 794n/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 999n/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))
BDBM50415705
PNG
(CHEMBL1081237)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C
Show InChI InChI=1S/C27H27Cl2N5S/c1-17-7-9-20-21(5-3-6-24(20)30-17)25-31-32-26(33(25)2)35-12-4-11-34-15-19-14-27(19,16-34)18-8-10-22(28)23(29)13-18/h3,5-10,13,19H,4,11-12,14-16H2,1-2H3
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n/an/a 999n/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))
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 999n/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))
BDBM50415712
PNG
(CHEMBL1080846)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C
Show InChI InChI=1S/C21H23Cl2N5OS/c1-13-18(29-12-24-13)19-25-26-20(27(19)2)30-7-3-6-28-10-15-9-21(15,11-28)14-4-5-16(22)17(23)8-14/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
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n/an/a 999n/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))
BDBM50415715
PNG
(CHEMBL1081934)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(OC(F)(F)F)c2)n1C
Show InChI InChI=1S/C22H24F3N5O2S/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)33-8-4-7-30-11-16-10-21(16,12-30)15-5-3-6-17(9-15)32-22(23,24)25/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3
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n/an/a 999n/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 1.00E+3n/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))
BDBM50415711
PNG
(CHEMBL1079824)
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+/m0/s1
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n/an/a 1.00E+3n/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))
BDBM50415712
PNG
(CHEMBL1080846)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C
Show InChI InChI=1S/C21H23Cl2N5OS/c1-13-18(29-12-24-13)19-25-26-20(27(19)2)30-7-3-6-28-10-15-9-21(15,11-28)14-4-5-16(22)17(23)8-14/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3
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n/an/a 1.00E+3n/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 1.00E+3n/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))
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 1.00E+3n/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))
BDBM50415715
PNG
(CHEMBL1081934)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(OC(F)(F)F)c2)n1C
Show InChI InChI=1S/C22H24F3N5O2S/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)33-8-4-7-30-11-16-10-21(16,12-30)15-5-3-6-17(9-15)32-22(23,24)25/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3
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n/an/a 1.00E+3n/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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