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PubMed code 26191359

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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))
BDBM50054813
PNG
(CHEMBL3318989)
Show SMILES COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)ccc4[nH]3)c2c1
Show InChI InChI=1S/C23H24ClN5O2/c1-31-17-13-21-19(25-14-17)4-5-22(30)29(21)11-10-28-8-6-15(7-9-28)23-26-18-3-2-16(24)12-20(18)27-23/h2-5,12-15H,6-11H2,1H3,(H,26,27)
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50018288
PNG
(CHEMBL3290336)
Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C24H28N6O4/c1-33-21-6-2-16-3-7-22(32)30(24(16)28-21)13-12-29-10-8-17(9-11-29)25-14-18-4-5-19-23(26-18)27-20(31)15-34-19/h2-7,17,25H,8-15H2,1H3,(H,26,27,31)
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n/an/a 2.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112248
PNG
(CHEMBL3608742)
Show SMILES NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(Cl)ccc5[nH]4)c3c2)cc1
Show InChI InChI=1S/C28H27ClN6O4S/c29-19-1-6-23-25(15-19)33-28(32-23)18-9-11-34(12-10-18)13-14-35-26-16-21(17-31-24(26)7-8-27(35)36)39-20-2-4-22(5-3-20)40(30,37)38/h1-8,15-18H,9-14H2,(H,32,33)(H2,30,37,38)
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112250
PNG
(CHEMBL3608314)
Show SMILES Cc1cc2[nH]c(nc2cc1C#N)C1CCN(CCn2c3cc(Oc4ccc(cc4)S(N)(=O)=O)cnc3ccc2=O)CC1
Show InChI InChI=1S/C30H29N7O4S/c1-19-14-26-27(15-21(19)17-31)35-30(34-26)20-8-10-36(11-9-20)12-13-37-28-16-23(18-33-25(28)6-7-29(37)38)41-22-2-4-24(5-3-22)42(32,39)40/h2-7,14-16,18,20H,8-13H2,1H3,(H,34,35)(H2,32,39,40)
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112265
PNG
(CHEMBL3608757)
Show SMILES F[C@H]1CN(CCn2c3cc(Oc4cccnc4)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C28H28FN7O4/c29-21-16-35(9-7-22(21)31-13-18-3-5-25-28(33-18)34-26(37)17-39-25)10-11-36-24-12-20(40-19-2-1-8-30-14-19)15-32-23(24)4-6-27(36)38/h1-6,8,12,14-15,21-22,31H,7,9-11,13,16-17H2,(H,33,34,37)/t21-,22+/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112258
PNG
(CHEMBL3608750)
Show SMILES Fc1cncc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3c2)c1
Show InChI InChI=1S/C28H28FN7O4/c29-18-11-21(15-30-13-18)40-22-12-24-23(32-16-22)2-4-27(38)36(24)10-9-35-7-5-19(6-8-35)31-14-20-1-3-25-28(33-20)34-26(37)17-39-25/h1-4,11-13,15-16,19,31H,5-10,14,17H2,(H,33,34,37)
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n/an/a 7.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112251
PNG
(CHEMBL3608744)
Show SMILES Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(cc5)S(N)(=O)=O)cnc4ccc3=O)CC2)cc1Cl
Show InChI InChI=1S/C28H31ClN6O4S/c1-19-25(29)14-20(16-31-19)17-32-21-8-10-34(11-9-21)12-13-35-27-15-23(18-33-26(27)6-7-28(35)36)39-22-2-4-24(5-3-22)40(30,37)38/h2-7,14-16,18,21,32H,8-13,17H2,1H3,(H2,30,37,38)
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n/an/a 8.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112249
PNG
(CHEMBL3608743)
Show SMILES NS(=O)(=O)c1ccc(Oc2ccc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1
Show InChI InChI=1S/C29H31N7O6S/c30-43(39,40)23-6-4-22(5-7-23)42-26-9-1-19-2-10-27(38)36(29(19)34-26)16-15-35-13-11-20(12-14-35)31-17-21-3-8-24-28(32-21)33-25(37)18-41-24/h1-10,20,31H,11-18H2,(H2,30,39,40)(H,32,33,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112252
PNG
(CHEMBL3608745)
Show SMILES Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(cc5)S(N)(=O)=O)cnc4ccc3=O)CC2)cc1C#N
Show InChI InChI=1S/C29H31N7O4S/c1-20-22(16-30)14-21(17-32-20)18-33-23-8-10-35(11-9-23)12-13-36-28-15-25(19-34-27(28)6-7-29(36)37)40-24-2-4-26(5-3-24)41(31,38)39/h2-7,14-15,17,19,23,33H,8-13,18H2,1H3,(H2,31,38,39)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112264
PNG
(CHEMBL3608756)
Show SMILES F[C@H]1CN(CCn2c3cc(Oc4ccon4)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C26H26FN7O5/c27-18-14-33(7-5-19(18)28-12-16-1-3-22-26(30-16)31-23(35)15-37-22)8-9-34-21-11-17(39-24-6-10-38-32-24)13-29-20(21)2-4-25(34)36/h1-4,6,10-11,13,18-19,28H,5,7-9,12,14-15H2,(H,30,31,35)/t18-,19+/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112255
PNG
(CHEMBL3608748)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(Oc6ccon6)cnc5ccc4=O)CC3)nc2N1
Show InChI InChI=1S/C26H27N7O5/c34-23-16-36-22-3-1-18(29-26(22)30-23)14-27-17-5-8-32(9-6-17)10-11-33-21-13-19(38-24-7-12-37-31-24)15-28-20(21)2-4-25(33)35/h1-4,7,12-13,15,17,27H,5-6,8-11,14,16H2,(H,29,30,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112261
PNG
(CHEMBL3608753)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(OCc6ccccn6)cnc5ccc4=O)CC3)nc2N1
Show InChI InChI=1S/C29H31N7O4/c37-27-19-40-26-6-4-21(33-29(26)34-27)16-31-20-8-11-35(12-9-20)13-14-36-25-15-23(17-32-24(25)5-7-28(36)38)39-18-22-3-1-2-10-30-22/h1-7,10,15,17,20,31H,8-9,11-14,16,18-19H2,(H,33,34,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112263
PNG
(CHEMBL3608755)
Show SMILES Cn1ccc(COc2cnc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3c2)n1
Show InChI InChI=1S/C28H32N8O4/c1-34-9-6-21(33-34)17-39-22-14-24-23(30-16-22)3-5-27(38)36(24)13-12-35-10-7-19(8-11-35)29-15-20-2-4-25-28(31-20)32-26(37)18-40-25/h2-6,9,14,16,19,29H,7-8,10-13,15,17-18H2,1H3,(H,31,32,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112254
PNG
(CHEMBL3608747)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6ccon6)ccc5ccc4=O)CC3)nc2N1
Show InChI InChI=1S/C26H27N7O5/c34-21-16-36-20-4-3-19(28-25(20)29-21)15-27-18-7-10-32(11-8-18)12-13-33-24(35)6-2-17-1-5-22(30-26(17)33)38-23-9-14-37-31-23/h1-6,9,14,18,27H,7-8,10-13,15-16H2,(H,28,29,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112257
PNG
(CHEMBL3608749)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(Oc6cccnc6)cnc5ccc4=O)CC3)nc2N1
Show InChI InChI=1S/C28H29N7O4/c36-26-18-38-25-5-3-20(32-28(25)33-26)15-30-19-7-10-34(11-8-19)12-13-35-24-14-22(39-21-2-1-9-29-16-21)17-31-23(24)4-6-27(35)37/h1-6,9,14,16-17,19,30H,7-8,10-13,15,18H2,(H,32,33,36)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112262
PNG
(CHEMBL3608754)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(OCc6cccnn6)cnc5ccc4=O)CC3)nc2N1
Show InChI InChI=1S/C28H30N8O4/c37-26-18-40-25-5-3-20(32-28(25)33-26)15-29-19-7-10-35(11-8-19)12-13-36-24-14-22(16-30-23(24)4-6-27(36)38)39-17-21-2-1-9-31-34-21/h1-6,9,14,16,19,29H,7-8,10-13,15,17-18H2,(H,32,33,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112260
PNG
(CHEMBL3608752)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(O[C@H]6CCOC6)cnc5ccc4=O)CC3)nc2N1 |r|
Show InChI InChI=1S/C27H32N6O5/c34-25-17-37-24-3-1-19(30-27(24)31-25)14-28-18-5-8-32(9-6-18)10-11-33-23-13-21(38-20-7-12-36-16-20)15-29-22(23)2-4-26(33)35/h1-4,13,15,18,20,28H,5-12,14,16-17H2,(H,30,31,34)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112259
PNG
(CHEMBL3608751)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(O[C@@H]6CCOC6)cnc5ccc4=O)CC3)nc2N1 |r|
Show InChI InChI=1S/C27H32N6O5/c34-25-17-37-24-3-1-19(30-27(24)31-25)14-28-18-5-8-32(9-6-18)10-11-33-23-13-21(38-20-7-12-36-16-20)15-29-22(23)2-4-26(33)35/h1-4,13,15,18,20,28H,5-12,14,16-17H2,(H,30,31,34)/t20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112253
PNG
(CHEMBL3608746)
Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6cncnc6)ccc5ccc4=O)CC3)nc2N1
Show InChI InChI=1S/C27H28N8O4/c36-23-16-38-22-4-3-20(31-26(22)32-23)13-30-19-7-9-34(10-8-19)11-12-35-25(37)6-2-18-1-5-24(33-27(18)35)39-21-14-28-17-29-15-21/h1-6,14-15,17,19,30H,7-13,16H2,(H,31,32,36)
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Article
PubMed
n/an/a>2.24E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


ACS Med Chem Lett 6: 741-6 (2015)


Article DOI: 10.1021/ml500531p
BindingDB Entry DOI: 10.7270/Q2PZ5BMK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%