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Compile Data Set for Download or QSAR

Found 3835 hits with Last Name = 'cheng' and Initial = 'a'   
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
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
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50n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032720
PNG
(CHEMBL3354696)
Show SMILES NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1 |r,t:1|
Show InChI InChI=1/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/s2
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90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032730
PNG
(CHEMBL3354706)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N |r,c:22|
Show InChI InChI=1/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/s2
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145n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032713
PNG
(CHEMBL3354689)
Show SMILES CC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C25H22N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-7,10-13,15H,14H2,1-3H3,(H2,26,29)/t25-/s2
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150n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50438113
PNG
(CHEMBL1092481)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)
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200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031614
PNG
(CHEMBL3359758)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccc(cc1)C#N)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C26H16FN5O2/c27-23-19(2-1-9-30-23)17-7-8-22-20(10-17)26(14-33-25(29)32-26)21-11-18(13-31-24(21)34-22)16-5-3-15(12-28)4-6-16/h1-11,13H,14H2,(H2,29,32)/t26-/s2
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210n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032729
PNG
(CHEMBL3354705)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1 |r,c:22|
Show InChI InChI=1/C25H24FN3O3/c1-24(2,3)13-30-17-6-8-21-19(11-17)25(14-31-23(27)29-25)18-10-15(4-7-20(18)32-21)16-5-9-22(26)28-12-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/s2
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259n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032731
PNG
(CHEMBL3354707)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(F)c1 |r,c:22|
Show InChI InChI=1/C25H24FN3O3/c1-24(2,3)13-30-18-5-7-22-20(10-18)25(14-31-23(27)29-25)19-9-15(4-6-21(19)32-22)16-8-17(26)12-28-11-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/s2
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377n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032714
PNG
(CHEMBL3354690)
Show SMILES CC(C)(C)CCc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C25H26N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,26,29)/t25-/s2
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410n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032726
PNG
(CHEMBL3354702)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccccn1 |r,c:22|
Show InChI InChI=1/C25H25N3O3/c1-24(2,3)14-29-17-8-10-22-19(13-17)25(15-30-23(26)28-25)18-12-16(7-9-21(18)31-22)20-6-4-5-11-27-20/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/s2
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496n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Sphingosine kinase types 2 (SphK2)


(Homo sapiens (Human))
BDBM50438113
PNG
(CHEMBL1092481)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N
Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)
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500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032727
PNG
(CHEMBL3354703)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 |r,c:22|
Show InChI InChI=1/C25H25N3O3/c1-24(2,3)14-29-18-5-7-22-20(13-18)25(15-30-23(26)28-25)19-12-17(4-6-21(19)31-22)16-8-10-27-11-9-16/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/s2
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624n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/s2
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660n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/s2
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660n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032728
PNG
(CHEMBL3354704)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22|
Show InChI InChI=1/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/s2
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797n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031617
PNG
(CHEMBL3359760)
Show SMILES CC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
Show InChI InChI=1/C25H21FN4O2/c1-24(2,3)9-8-15-11-19-22(29-13-15)32-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-31-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/s2
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1.16E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031619
PNG
(CHEMBL3359757)
Show SMILES Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
Show InChI InChI=1/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/s2
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1.24E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50299323
PNG
((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r|
Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032716
PNG
(CHEMBL3354692)
Show SMILES COC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:23|
Show InChI InChI=1/C25H22N4O3/c1-24(2,30-3)9-8-16-4-6-21-19(10-16)25(14-31-23(26)29-25)20-11-17(5-7-22(20)32-21)18-12-27-15-28-13-18/h4-7,10-13,15H,14H2,1-3H3,(H2,26,29)/t25-/s2
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1.42E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:21|
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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1.84E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032712
PNG
(CHEMBL3355143)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccccn1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C25H16F2N4O2/c26-19-12-15(20-5-1-2-8-29-20)11-18-22(19)33-21-7-6-14(16-4-3-9-30-23(16)27)10-17(21)25(18)13-32-24(28)31-25/h1-12H,13H2,(H2,28,31)/t25-/s2
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2.77E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031627
PNG
(CHEMBL3359749)
Show SMILES CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
Show InChI InChI=1/C24H23FN4O3/c1-23(2,3)12-30-15-10-18-21(28-11-15)32-19-7-6-14(16-5-4-8-27-20(16)25)9-17(19)24(18)13-31-22(26)29-24/h4-11H,12-13H2,1-3H3,(H2,26,29)/t24-/s2
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2.95E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031625
PNG
(CHEMBL3359751)
Show SMILES COC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
Show InChI InChI=1/C24H23FN4O4/c1-23(2,30-3)12-31-15-10-18-21(28-11-15)33-19-7-6-14(16-5-4-8-27-20(16)25)9-17(19)24(18)13-32-22(26)29-24/h4-11H,12-13H2,1-3H3,(H2,26,29)/t24-/s2
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2.95E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032737
PNG
(CHEMBL3354718)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/s2
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3.28E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032737
PNG
(CHEMBL3354718)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/s2
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3.30E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031626
PNG
(CHEMBL3359750)
Show SMILES CC(C)(C)COc1ccc2Oc3ncc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C23H23N5O3/c1-22(2,3)11-29-16-4-5-19-17(7-16)23(12-30-21(24)28-23)18-6-14(10-27-20(18)31-19)15-8-25-13-26-9-15/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/s2
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3.81E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Sphingosine kinase types 2 (SphK2)


(Homo sapiens (Human))
BDBM50343835
PNG
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)
Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032723
PNG
(CHEMBL3354699)
Show SMILES CC(C)(F)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C23H21FN4O3/c1-22(2,24)11-29-16-4-6-20-18(8-16)23(12-30-21(25)28-23)17-7-14(3-5-19(17)31-20)15-9-26-13-27-10-15/h3-10,13H,11-12H2,1-2H3,(H2,25,28)/t23-/s2
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4.98E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061587
PNG
(CHEMBL3394051)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23+/s2
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7.80E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Sphingosine kinase types 2 (SphK2)


(Homo sapiens (Human))
BDBM50393642
PNG
(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13|
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
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9.80E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061590
PNG
(CHEMBL3394054)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C24H16FN5O2/c25-22-16(4-2-8-28-22)14-5-6-20-17(9-14)24(13-31-23(26)30-24)18-10-19(29-12-21(18)32-20)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)/t24-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061591
PNG
(CHEMBL3394055)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C24H16FN5O2/c25-22-16(2-1-7-28-22)15-3-4-20-17(10-15)24(13-31-23(26)30-24)18-11-19(29-12-21(18)32-20)14-5-8-27-9-6-14/h1-12H,13H2,(H2,26,30)/t24-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061592
PNG
(CHEMBL3394056)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:25|
Show InChI InChI=1/C25H18FN5O2/c1-14-9-16(6-8-28-14)20-11-19-22(12-30-20)33-21-5-4-15(17-3-2-7-29-23(17)26)10-18(21)25(19)13-32-24(27)31-25/h2-12H,13H2,1H3,(H2,27,31)/t25-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50438114
PNG
(CHEMBL2409758)
Show SMILES CCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r|
Show InChI InChI=1S/C16H25NO2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16(19)15(12-18)17-2/h6-11,15-19H,3-5,12H2,1-2H3/b11-10+/t15-,16+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting


Bioorg Med Chem Lett 23: 4608-16 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.030
BindingDB Entry DOI: 10.7270/Q2736SB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031613
PNG
(CHEMBL3359763)
Show SMILES CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
Show InChI InChI=1/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031615
PNG
(CHEMBL3359762)
Show SMILES CC(C)(O)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
Show InChI InChI=1/C24H19FN4O3/c1-23(2,30)8-7-14-10-18-21(28-12-14)32-19-6-5-15(16-4-3-9-27-20(16)25)11-17(19)24(18)13-31-22(26)29-24/h3-6,9-12,30H,13H2,1-2H3,(H2,26,29)/t24-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031616
PNG
(CHEMBL3359761)
Show SMILES COC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
Show InChI InChI=1/C25H21FN4O3/c1-24(2,31-3)9-8-15-11-19-22(29-13-15)33-20-7-6-16(17-5-4-10-28-21(17)26)12-18(20)25(19)14-32-23(27)30-25/h4-7,10-13H,14H2,1-3H3,(H2,27,30)/t25-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031618
PNG
(CHEMBL3359759)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C24H15F2N5O2/c25-20-10-13(5-7-28-20)15-9-18-22(30-11-15)33-19-4-3-14(16-2-1-6-29-21(16)26)8-17(19)24(18)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/s2
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031620
PNG
(CHEMBL3359756)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C23H20FN5O3/c24-20-16(2-1-5-26-20)14-3-4-19-17(10-14)23(13-31-22(25)28-23)18-11-15(12-27-21(18)32-19)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/s2
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031621
PNG
(CHEMBL3359755)
Show SMILES CC1(C)OCCC(=C1)c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:6,25|
Show InChI InChI=1/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)17-11-20-23(30-13-17)34-21-6-5-15(18-4-3-8-29-22(18)27)10-19(21)26(20)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/s2
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031622
PNG
(CHEMBL3359754)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C24H21FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/s2
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031623
PNG
(CHEMBL3359753)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,23|
Show InChI InChI=1/C24H19FN4O3/c25-21-17(4-1-7-27-21)14-5-6-20-18(9-14)24(13-31-23(26)29-24)19-10-16(11-28-22(19)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031624
PNG
(CHEMBL3359752)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23|
Show InChI InChI=1/C24H19FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031628
PNG
(CHEMBL3359748)
Show SMILES CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22|
Show InChI InChI=1/C24H24N4O3/c1-23(2,3)13-29-17-10-19-21(27-12-17)31-20-7-6-15(16-5-4-8-26-11-16)9-18(20)24(19)14-30-22(25)28-24/h4-12H,13-14H2,1-3H3,(H2,25,28)/t24-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031629
PNG
(CHEMBL3359747)
Show SMILES CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Show InChI InChI=1/C23H23N5O3/c1-22(2,3)11-29-16-7-18-20(27-10-16)31-19-5-4-14(15-8-25-13-26-9-15)6-17(19)23(18)12-30-21(24)28-23/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/s2
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061580
PNG
(CHEMBL3394057)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061581
PNG
(CHEMBL3394058)
Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 |r,t:1,31|
Show InChI InChI=1/C25H20FN3O3/c26-23-18(2-1-9-28-23)17-4-6-22-20(13-17)25(14-31-24(27)29-25)19-12-16(3-5-21(19)32-22)15-7-10-30-11-8-15/h1-7,9,12-13H,8,10-11,14H2,(H2,27,29)/t25-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061582
PNG
(CHEMBL3394039)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23|
Show InChI InChI=1/C24H19FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061593
PNG
(CHEMBL3394040)
Show SMILES CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:6,26|
Show InChI InChI=1/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)20-11-19-22(13-30-20)34-21-6-5-15(17-4-3-8-29-23(17)27)10-18(21)26(19)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
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