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Compile Data Set for Download or QSAR

Found 77 hits from AstraZeneca UK   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50379165
PNG
(CHEMBL2010847)
Show SMILES CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C24H27F3N6O2/c1-31(23(34)13-17-5-9-20(10-6-17)33-16-28-29-30-33)21-11-12-32(15-22(21)35-2)14-18-3-7-19(8-4-18)24(25,26)27/h3-10,16,21-22H,11-15H2,1-2H3/t21-,22+/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379170
PNG
(CHEMBL2010842)
Show SMILES CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H24FN7OS/c1-29(23(32)12-16-2-5-19(6-3-16)31-15-25-27-28-31)18-8-10-30(11-9-18)14-22-26-20-13-17(24)4-7-21(20)33-22/h2-7,13,15,18H,8-12,14H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379158
PNG
(CHEMBL2010837)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-5-3-2-4-6-17)20-11-13-27(14-12-20)16-18-7-9-19(10-8-18)22(23,24)25/h2-10,20H,11-16H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379166
PNG
(CHEMBL2010846)
Show SMILES CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C24H27F3N6O2/c1-31(23(34)13-17-5-9-20(10-6-17)33-16-28-29-30-33)21-11-12-32(15-22(21)35-2)14-18-3-7-19(8-4-18)24(25,26)27/h3-10,16,21-22H,11-15H2,1-2H3/t21-,22+/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379167
PNG
(CHEMBL2010845)
Show SMILES CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379177
PNG
(CHEMBL2010834)
Show SMILES CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
Show InChI InChI=1S/C24H28F3N3O2/c1-28-23(32)19-7-3-17(4-8-19)15-22(31)29(2)21-11-13-30(14-12-21)16-18-5-9-20(10-6-18)24(25,26)27/h3-10,21H,11-16H2,1-2H3,(H,28,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379181
PNG
(CHEMBL2010830)
Show SMILES CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H29F3N2O3S/c1-3-29(23(30)16-18-6-10-22(11-7-18)33(2,31)32)21-12-14-28(15-13-21)17-19-4-8-20(9-5-19)24(25,26)27/h4-11,21H,3,12-17H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379179
PNG
(CHEMBL2010832)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)13-17-5-8-20(14-21(17)24)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,14,19H,9-13,15H2,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379172
PNG
(CHEMBL2010840)
Show SMILES CN(C1CCN(Cc2ccc(c(F)c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)13-16-2-5-19(6-3-16)33-15-28-29-30-33)18-8-10-32(11-9-18)14-17-4-7-20(21(24)12-17)23(25,26)27/h2-7,12,15,18H,8-11,13-14H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379178
PNG
(CHEMBL2010833)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)14-17-5-8-21(20(24)13-17)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,13,19H,9-12,14-15H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379180
PNG
(CHEMBL2010831)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H27F3N2O3S/c1-27(22(29)15-17-5-9-21(10-6-17)32(2,30)31)20-11-13-28(14-12-20)16-18-3-7-19(8-4-18)23(24,25)26/h3-10,20H,11-16H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379168
PNG
(CHEMBL2010844)
Show SMILES CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/s2
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379174
PNG
(CHEMBL2010838)
Show SMILES CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-6-20(7-3-16)32-15-27-28-29-32)19-8-10-31(11-9-19)14-18-5-4-17(13-26-18)22(23,24)25/h2-7,13,15,19H,8-12,14H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379161
PNG
(CHEMBL2010851)
Show SMILES CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1/C23H26F4N2O3S/c1-28(22(30)13-16-5-9-19(10-6-16)33(2,31)32)21-11-12-29(15-20(21)24)14-17-3-7-18(8-4-17)23(25,26)27/h3-10,20-21H,11-15H2,1-2H3/t20-,21+/s2
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n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379176
PNG
(CHEMBL2010835)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C24H28F3N3O2/c1-17(31)28-21-9-5-18(6-10-21)15-23(32)29(2)22-11-13-30(14-12-22)16-19-3-7-20(8-4-19)24(25,26)27/h3-10,22H,11-16H2,1-2H3,(H,28,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379162
PNG
(CHEMBL2010850)
Show SMILES CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C23H23F2N7OS/c1-30(23(33)10-15-2-5-17(6-3-15)32-14-26-28-29-32)20-8-9-31(12-18(20)25)13-22-27-19-11-16(24)4-7-21(19)34-22/h2-7,11,14,18,20H,8-10,12-13H2,1H3/t18-,20+/s2
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n/an/a 4.70E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379171
PNG
(CHEMBL2010841)
Show SMILES CN(C1CCN(Cc2ccc(cc2)-c2noc(C)n2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H28N8O2/c1-18-27-25(28-35-18)21-7-3-20(4-8-21)16-32-13-11-22(12-14-32)31(2)24(34)15-19-5-9-23(10-6-19)33-17-26-29-30-33/h3-10,17,22H,11-16H2,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379159
PNG
(CHEMBL2010853)
Show SMILES CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1/C23H25F2N3O3S2/c1-27(23(29)11-15-3-6-17(7-4-15)33(2,30)31)20-9-10-28(13-18(20)25)14-22-26-19-12-16(24)5-8-21(19)32-22/h3-8,12,18,20H,9-11,13-14H2,1-2H3/t18-,20+/s2
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379169
PNG
(CHEMBL2010843)
Show SMILES CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H29N7OS/c1-28(23(31)14-17-6-8-19(9-7-17)30-16-24-26-27-30)18-10-12-29(13-11-18)15-22-25-20-4-2-3-5-21(20)32-22/h6-9,16,18H,2-5,10-15H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379164
PNG
(CHEMBL2010848)
Show SMILES CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379173
PNG
(CHEMBL2010839)
Show SMILES CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-5-19(6-3-16)32-15-27-28-29-32)18-8-10-31(11-9-18)14-17-4-7-20(26-13-17)22(23,24)25/h2-7,13,15,18H,8-12,14H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379163
PNG
(CHEMBL2010849)
Show SMILES CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1/C22H23F4N7O/c1-31(21(34)10-15-2-5-17(6-3-15)33-14-28-29-30-33)19-8-9-32(13-18(19)23)12-16-4-7-20(27-11-16)22(24,25)26/h2-7,11,14,18-19H,8-10,12-13H2,1H3/t18-,19+/s2
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379160
PNG
(CHEMBL2010852)
Show SMILES CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1/C23H26FN3O3S2/c1-26(23(28)13-16-7-9-17(10-8-16)32(2,29)30)20-11-12-27(14-18(20)24)15-22-25-19-5-3-4-6-21(19)31-22/h3-10,18,20H,11-15H2,1-2H3/t18-,20+/s2
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165025
PNG
(6-[3-Isopropoxy-5-(2-pyridin-3-yl-ethoxy)-benzoyla...)
Show SMILES CC(C)Oc1cc(OCCc2cccnc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-15(2)31-20-11-18(22(27)26-21-6-5-17(14-25-21)23(28)29)10-19(12-20)30-9-7-16-4-3-8-24-13-16/h3-6,8,10-15H,7,9H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 1.26E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165026
PNG
(6-(2-Benzyloxy-5-methylsulfanyl-benzoylamino)-nico...)
Show SMILES CSc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H18N2O4S/c1-28-16-8-9-18(27-13-14-5-3-2-4-6-14)17(11-16)20(24)23-19-10-7-15(12-22-19)21(25)26/h2-12H,13H2,1H3,(H,25,26)(H,22,23,24)
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n/an/an/an/a 4.22E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165028
PNG
(6-[(E)-2-(2-Benzyloxy-5-methylsulfanyl-phenyl)-vin...)
Show SMILES CSc1ccc(OCc2ccccc2)c(\C=C\c2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C22H19NO3S/c1-27-20-11-12-21(26-15-16-5-3-2-4-6-16)17(13-20)7-9-19-10-8-18(14-23-19)22(24)25/h2-14H,15H2,1H3,(H,24,25)/b9-7+
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n/an/an/an/a 3.20E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165027
PNG
(6-[2-(3,5-Bis-benzyloxy-phenyl)-ethyl]-nicotinic a...)
Show SMILES OC(=O)c1ccc(CCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
Show InChI InChI=1S/C28H25NO4/c30-28(31)24-12-14-25(29-18-24)13-11-23-15-26(32-19-21-7-3-1-4-8-21)17-27(16-23)33-20-22-9-5-2-6-10-22/h1-10,12,14-18H,11,13,19-20H2,(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165029
PNG
(6-[3-(2-Cyclopentyl-ethoxy)-5-isopropoxy-benzoylam...)
Show SMILES CC(C)Oc1cc(OCCC2CCCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-15(2)30-20-12-18(11-19(13-20)29-10-9-16-5-3-4-6-16)22(26)25-21-8-7-17(14-24-21)23(27)28/h7-8,11-16H,3-6,9-10H2,1-2H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a 170n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165030
PNG
(6-(3,5-Bis-benzyloxy-benzoylamino)-nicotinic acid ...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
Show InChI InChI=1S/C27H22N2O5/c30-26(29-25-12-11-21(16-28-25)27(31)32)22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,31,32)(H,28,29,30)
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n/an/an/an/a 400n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165031
PNG
(6-({3-isopropoxy-5-[2-(3-thienyl)ethoxy]benzoyl}am...)
Show SMILES CC(C)Oc1cc(OCCc2ccsc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-14(2)29-19-10-17(9-18(11-19)28-7-5-15-6-8-30-13-15)21(25)24-20-4-3-16(12-23-20)22(26)27/h3-4,6,8-14H,5,7H2,1-2H3,(H,26,27)(H,23,24,25)
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n/an/an/an/a 90n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165032
PNG
(6-(2-Benzyloxy-5-methylsulfanyl-phenylcarbamoyl)-n...)
Show SMILES CSc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C21H18N2O4S/c1-28-16-8-10-19(27-13-14-5-3-2-4-6-14)18(11-16)23-20(24)17-9-7-15(12-22-17)21(25)26/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165034
PNG
(6-[3-Isopropoxy-5-(2-pyridin-4-yl-ethoxy)-benzoyla...)
Show SMILES CC(C)Oc1cc(OCCc2ccncc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-15(2)31-20-12-18(22(27)26-21-4-3-17(14-25-21)23(28)29)11-19(13-20)30-10-7-16-5-8-24-9-6-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 1.78E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165033
PNG
(6-[2,3-Bis-(2-chloro-benzyloxy)-benzoylamino]-nico...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2OCc2ccccc2Cl)nc1
Show InChI InChI=1S/C27H20Cl2N2O5/c28-21-9-3-1-6-18(21)15-35-23-11-5-8-20(25(23)36-16-19-7-2-4-10-22(19)29)26(32)31-24-13-12-17(14-30-24)27(33)34/h1-14H,15-16H2,(H,33,34)(H,30,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165035
PNG
(6-[3-(2-Fluoro-benzyloxy)-5-isopropoxy-benzoylamin...)
Show SMILES CC(C)Oc1cc(OCc2ccccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H21FN2O5/c1-14(2)31-19-10-17(22(27)26-21-8-7-15(12-25-21)23(28)29)9-18(11-19)30-13-16-5-3-4-6-20(16)24/h3-12,14H,13H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 100n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165037
PNG
(6-(3-Isobutoxy-5-isopropoxy-benzoylamino)-nicotini...)
Show SMILES CC(C)COc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 570n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165036
PNG
(6-(3,5-Bis-benzyloxy-phenylcarbamoyl)-nicotinic ac...)
Show SMILES OC(=O)c1ccc(nc1)C(=O)Nc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H22N2O5/c30-26(25-12-11-21(16-28-25)27(31)32)29-22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,30)(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165038
PNG
(6-(3,5-Bis-benzyloxy-benzyloxy)-nicotinic acid | C...)
Show SMILES OC(=O)c1ccc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
Show InChI InChI=1S/C27H23NO5/c29-27(30)23-11-12-26(28-16-23)33-19-22-13-24(31-17-20-7-3-1-4-8-20)15-25(14-22)32-18-21-9-5-2-6-10-21/h1-16H,17-19H2,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165040
PNG
(6-(3-Isopropoxy-5-phenethyloxy-benzoylamino)-nicot...)
Show SMILES CC(C)Oc1cc(OCCc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H24N2O5/c1-16(2)31-21-13-19(23(27)26-22-9-8-18(15-25-22)24(28)29)12-20(14-21)30-11-10-17-6-4-3-5-7-17/h3-9,12-16H,10-11H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 130n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165039
PNG
(6-[3-(2-Chloro-benzyloxy)-benzoylamino]-nicotinic ...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1
Show InChI InChI=1S/C20H15ClN2O4/c21-17-7-2-1-4-15(17)12-27-16-6-3-5-13(10-16)19(24)23-18-9-8-14(11-22-18)20(25)26/h1-11H,12H2,(H,25,26)(H,22,23,24)
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n/an/an/an/a 910n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165041
PNG
(6-(3-(benzyloxy)-5-isopropoxybenzamido)nicotinic a...)
Show SMILES CC(C)Oc1cc(OCc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H22N2O5/c1-15(2)30-20-11-18(10-19(12-20)29-14-16-6-4-3-5-7-16)22(26)25-21-9-8-17(13-24-21)23(27)28/h3-13,15H,14H2,1-2H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a 290n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165042
PNG
(6-(3,5-Dimethoxy-phenoxymethyl)-nicotinic acid | C...)
Show SMILES COc1cc(OC)cc(OCc2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C15H15NO5/c1-19-12-5-13(20-2)7-14(6-12)21-9-11-4-3-10(8-16-11)15(17)18/h3-8H,9H2,1-2H3,(H,17,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165044
PNG
(6-(3-Cyclopentylmethoxy-5-isopropoxy-benzoylamino)...)
Show SMILES CC(C)Oc1cc(OCC2CCCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-14(2)29-19-10-17(9-18(11-19)28-13-15-5-3-4-6-15)21(25)24-20-8-7-16(12-23-20)22(26)27/h7-12,14-15H,3-6,13H2,1-2H3,(H,26,27)(H,23,24,25)
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n/an/an/an/a 650n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165043
PNG
(6-[3,5-Bis-(2-fluoro-benzyloxy)-benzoylamino]-nico...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1
Show InChI InChI=1S/C27H20F2N2O5/c28-23-7-3-1-5-18(23)15-35-21-11-20(26(32)31-25-10-9-17(14-30-25)27(33)34)12-22(13-21)36-16-19-6-2-4-8-24(19)29/h1-14H,15-16H2,(H,33,34)(H,30,31,32)
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n/an/an/an/a 90n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50165046
PNG
(6-(2-Benzyloxy-benzoylamino)-nicotinic acid | CHEM...)
Show SMILES OC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)nc1
Show InChI InChI=1S/C20H16N2O4/c23-19(22-18-11-10-15(12-21-18)20(24)25)16-8-4-5-9-17(16)26-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)(H,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay


Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
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