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PubMed code 21999508

Compile data set for download or QSAR
Found 20 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))
BDBM50357934
PNG
(CHEMBL1916532)
Show SMILES COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
Show InChI InChI=1S/C24H28FN5O3/c1-31-23-3-2-20-24(29-23)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357933
PNG
(CHEMBL1916533)
Show SMILES COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C24H27FN6O3/c1-33-22-5-3-19-23(30-22)17(18(25)13-27-19)8-11-31-9-6-15(7-10-31)26-12-16-2-4-20-24(28-16)29-21(32)14-34-20/h2-5,13,15,26H,6-12,14H2,1H3,(H,28,29,32)
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n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357930
PNG
(CHEMBL1916536)
Show SMILES COc1ccc2SCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C24H30N4O4S/c1-30-19-2-3-23-20(13-19)28(24(29)16-33-23)9-8-27-6-4-17(5-7-27)25-14-18-12-21-22(15-26-18)32-11-10-31-21/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50352066
PNG
(CHEMBL1824043)
Show SMILES Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C23H26FN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30)
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n/an/a 9.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357932
PNG
(CHEMBL1916534)
Show SMILES COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C24H30N4O5/c1-30-19-2-3-21-20(13-19)28(24(29)16-33-21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(15-26-18)32-11-10-31-22/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50352067
PNG
(CHEMBL1824044)
Show SMILES COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H29N5O5/c1-32-18-3-5-20-19(12-18)29(23(31)15-34-20)11-10-28-8-6-16(7-9-28)25-13-17-2-4-21-24(26-17)27-22(30)14-33-21/h2-5,12,16,25H,6-11,13-15H2,1H3,(H,26,27,30)
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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357924
PNG
(CHEMBL1916542)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C24H29N5O4/c1-31-19-2-3-20-21(13-19)29(24(30)16-27-20)9-8-28-6-4-17(5-7-28)25-14-18-12-22-23(15-26-18)33-11-10-32-22/h2-3,12-13,15-17,25H,4-11,14H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357931
PNG
(CHEMBL1916535)
Show SMILES O=C1COc2ccccc2N1CCN1CCC(CC1)NCc1cc2OCCOc2cn1
Show InChI InChI=1S/C23H28N4O4/c28-23-16-31-20-4-2-1-3-19(20)27(23)10-9-26-7-5-17(6-8-26)24-14-18-13-21-22(15-25-18)30-12-11-29-21/h1-4,13,15,17,24H,5-12,14,16H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357926
PNG
(CHEMBL1916540)
Show SMILES COc1ccc2c(C)cc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C26H32N4O4/c1-18-13-26(31)30(23-15-21(32-2)3-4-22(18)23)10-9-29-7-5-19(6-8-29)27-16-20-14-24-25(17-28-20)34-12-11-33-24/h3-4,13-15,17,19,27H,5-12,16H2,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357929
PNG
(CHEMBL1916537)
Show SMILES COc1ccc2CCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H31N5O4/c1-33-20-5-2-17-3-7-24(32)30(21(17)14-20)13-12-29-10-8-18(9-11-29)26-15-19-4-6-22-25(27-19)28-23(31)16-34-22/h2,4-6,14,18,26H,3,7-13,15-16H2,1H3,(H,27,28,31)
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n/an/a 2.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357923
PNG
(CHEMBL1914480)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
Show InChI InChI=1S/C23H28N6O4/c1-31-21-3-2-18-23(27-21)29(22(30)15-26-18)9-8-28-6-4-16(5-7-28)24-13-17-12-19-20(14-25-17)33-11-10-32-19/h2-3,12,14-16,24H,4-11,13H2,1H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357925
PNG
(CHEMBL1916541)
Show SMILES COc1ccc2c(C)nc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C25H31N5O4/c1-17-21-4-3-20(32-2)14-22(21)30(25(31)28-17)10-9-29-7-5-18(6-8-29)26-15-19-13-23-24(16-27-19)34-12-11-33-23/h3-4,13-14,16,18,26H,5-12,15H2,1-2H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357918
PNG
(CHEMBL1916547)
Show SMILES COc1ccc2nnc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C23H27N7O4/c1-33-17-3-4-18-19(12-17)30(23(32)28-27-18)11-10-29-8-6-15(7-9-29)24-13-16-2-5-20-22(25-16)26-21(31)14-34-20/h2-5,12,15,24H,6-11,13-14H2,1H3,(H,25,26,31)
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357919
PNG
(CHEMBL1916546)
Show SMILES COc1cc2n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c(=O)ccc2cn1
Show InChI InChI=1S/C24H29N5O4/c1-31-23-13-20-17(14-27-23)2-3-24(30)29(20)9-8-28-6-4-18(5-7-28)25-15-19-12-21-22(16-26-19)33-11-10-32-21/h2-3,12-14,16,18,25H,4-11,15H2,1H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357927
PNG
(CHEMBL1916539)
Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C25H30N4O4/c1-31-21-4-2-18-3-5-25(30)29(22(18)15-21)11-10-28-8-6-19(7-9-28)26-16-20-14-23-24(17-27-20)33-13-12-32-23/h2-5,14-15,17,19,26H,6-13,16H2,1H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357920
PNG
(CHEMBL1916545)
Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
Show InChI InChI=1S/C24H29N5O4/c1-31-22-4-2-17-3-5-23(30)29(24(17)27-22)11-10-28-8-6-18(7-9-28)25-15-19-14-20-21(16-26-19)33-13-12-32-20/h2-5,14,16,18,25H,6-13,15H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50352077
PNG
(CHEMBL1824041)
Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1
Show InChI InChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31)
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n/an/a 4.10E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357928
PNG
(CHEMBL1916538)
Show SMILES COc1ccc2COC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30)
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n/an/a 4.20E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357921
PNG
(CHEMBL1916544)
Show SMILES COc1ncc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
Show InChI InChI=1S/C22H27N7O4/c1-31-22-26-12-17-21(27-22)29(20(30)14-25-17)7-6-28-4-2-15(3-5-28)23-11-16-10-18-19(13-24-16)33-9-8-32-18/h10,12-15,23H,2-9,11H2,1H3
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n/an/a 8.10E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357922
PNG
(CHEMBL1916543)
Show SMILES COc1ncc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
Show InChI InChI=1S/C23H28N6O4/c1-31-23-26-13-16-2-3-21(30)29(22(16)27-23)9-8-28-6-4-17(5-7-28)24-14-18-12-19-20(15-25-18)33-11-10-32-19/h2-3,12-13,15,17,24H,4-11,14H2,1H3
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PubMed
n/an/a 2.06E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%