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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50027565   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246447
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F
Show InChI InChI=1S/C20H22F2N6O/c1-11(2)28-12(3)23-10-17(28)18-16(22)9-24-20(26-18)25-13-6-7-14(15(21)8-13)19(29)27(4)5/h6-11H,1-5H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246350
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F
Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)22-11-17(27)18-16(21)10-23-20(25-18)24-15-8-6-14(7-9-15)19(28)26(4)5/h6-12H,1-5H3,(H,23,24,25)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246301
PNG
(4-(4-(1-cyclopentyl-2-methyl-1H-imidazol-5-yl)pyri...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
Show InChI InChI=1S/C21H24N6O/c1-14-24-13-19(27(14)17-5-3-4-6-17)18-11-12-23-21(26-18)25-16-9-7-15(8-10-16)20(28)22-2/h7-13,17H,3-6H2,1-2H3,(H,22,28)(H,23,25,26)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246298
PNG
(CHEMBL487067 | N-(2-hydroxyethyl)-4-(4-(1-isopropy...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)26-14(3)23-12-18(26)17-8-9-22-20(25-17)24-16-6-4-15(5-7-16)19(28)21-10-11-27/h4-9,12-13,27H,10-11H2,1-3H3,(H,21,28)(H,22,24,25)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246255
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246254
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1
Show InChI InChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246349
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)22-10-16(26)17-15(20)9-23-19(25-17)24-14-7-5-13(6-8-14)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246397
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1
Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)23-11-18(27)17-8-9-22-20(25-17)24-14-6-7-15(16(21)10-14)19(28)26(4)5/h6-12H,1-5H3,(H,22,24,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246256
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1
Show InChI InChI=1S/C20H24N6O/c1-13(2)26-14(3)22-12-18(26)17-10-11-21-20(24-17)23-16-8-6-15(7-9-16)19(27)25(4)5/h6-13H,1-5H3,(H,21,23,24)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246448
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(C)c2)ncc1F
Show InChI InChI=1S/C21H25FN6O/c1-12(2)28-14(4)23-11-18(28)19-17(22)10-24-21(26-19)25-15-7-8-16(13(3)9-15)20(29)27(5)6/h7-12H,1-6H3,(H,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246297
PNG
(CHEMBL487066 | N-cyclopropyl-4-(4-(1-isopropyl-2-m...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CC2)n1
Show InChI InChI=1S/C21H24N6O/c1-13(2)27-14(3)23-12-19(27)18-10-11-22-21(26-18)25-17-6-4-15(5-7-17)20(28)24-16-8-9-16/h4-7,10-13,16H,8-9H2,1-3H3,(H,24,28)(H,22,25,26)
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246300
PNG
(4-(4-(1-(cyclopropylmethyl)-2-methyl-1H-imidazol-5...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC2CC2)cc1
Show InChI InChI=1S/C20H22N6O/c1-13-23-11-18(26(13)12-14-3-4-14)17-9-10-22-20(25-17)24-16-7-5-15(6-8-16)19(27)21-2/h5-11,14H,3-4,12H2,1-2H3,(H,21,27)(H,22,24,25)
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246299
PNG
(4-(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)pyrimidin-...)
Show SMILES CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC)n1
Show InChI InChI=1S/C18H20N6O/c1-4-24-12(2)21-11-16(24)15-9-10-20-18(23-15)22-14-7-5-13(6-8-14)17(25)19-3/h5-11H,4H2,1-3H3,(H,19,25)(H,20,22,23)
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n/an/a 56n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 1 [2-358]


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a 60n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246347
PNG
(4-(4-(1-isopropyl-2-(methoxymethyl)-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(COC)n2C(C)C)cc1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)26-17(11-23-18(26)12-28-4)16-9-10-22-20(25-16)24-15-7-5-14(6-8-15)19(27)21-3/h5-11,13H,12H2,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a 62n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246346
PNG
(4-(4-(2-cyclopropyl-1-isopropyl-1H-imidazol-5-yl)p...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C3CC3)n2C(C)C)cc1
Show InChI InChI=1S/C21H24N6O/c1-13(2)27-18(12-24-19(27)14-4-5-14)17-10-11-23-21(26-17)25-16-8-6-15(7-9-16)20(28)22-3/h6-14H,4-5H2,1-3H3,(H,22,28)(H,23,25,26)
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n/an/a 81n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246397
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1
Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)23-11-18(27)17-8-9-22-20(25-17)24-14-6-7-15(16(21)10-14)19(28)26(4)5/h6-12H,1-5H3,(H,22,24,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246447
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F
Show InChI InChI=1S/C20H22F2N6O/c1-11(2)28-12(3)23-10-17(28)18-16(22)9-24-20(26-18)25-13-6-7-14(15(21)8-13)19(29)27(4)5/h6-11H,1-5H3,(H,24,25,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246297
PNG
(CHEMBL487066 | N-cyclopropyl-4-(4-(1-isopropyl-2-m...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CC2)n1
Show InChI InChI=1S/C21H24N6O/c1-13(2)27-14(3)23-12-19(27)18-10-11-22-21(26-18)25-17-6-4-15(5-7-17)20(28)24-16-8-9-16/h4-7,10-13,16H,8-9H2,1-3H3,(H,24,28)(H,22,25,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246395
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(N)=O)c(F)c2)n1
Show InChI InChI=1S/C18H19FN6O/c1-10(2)25-11(3)22-9-16(25)15-6-7-21-18(24-15)23-12-4-5-13(17(20)26)14(19)8-12/h4-10H,1-3H3,(H2,20,26)(H,21,23,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Zap70 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Csk (unknown origin)


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246350
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F
Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)22-11-17(27)18-16(21)10-23-20(25-18)24-15-8-6-14(7-9-15)19(28)26(4)5/h6-12H,1-5H3,(H,23,24,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246349
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)22-10-16(26)17-15(20)9-23-19(25-17)24-14-7-5-13(6-8-14)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,23,24,25)
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n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246396
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246254
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1
Show InChI InChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23)
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n/an/a 1.70E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246256
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1
Show InChI InChI=1S/C20H24N6O/c1-13(2)26-14(3)22-12-18(26)17-10-11-21-20(24-17)23-16-8-6-15(7-9-16)19(27)25(4)5/h6-13H,1-5H3,(H,21,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246399
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1F
Show InChI InChI=1S/C19H20F2N6O/c1-10(2)27-11(3)23-9-16(27)17-15(21)8-24-19(26-17)25-12-5-6-13(14(20)7-12)18(28)22-4/h5-10H,1-4H3,(H,22,28)(H,24,25,26)
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n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246348
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(N)=O)ncc1F
Show InChI InChI=1S/C18H19FN6O/c1-10(2)25-11(3)21-9-15(25)16-14(19)8-22-18(24-16)23-13-6-4-12(5-7-13)17(20)26/h4-10H,1-3H3,(H2,20,26)(H,22,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246398
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(N)=O)c(F)c2)ncc1F
Show InChI InChI=1S/C18H18F2N6O/c1-9(2)26-10(3)22-8-15(26)16-14(20)7-23-18(25-16)24-11-4-5-12(17(21)27)13(19)6-11/h4-9H,1-3H3,(H2,21,27)(H,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246255
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246448
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(C)c2)ncc1F
Show InChI InChI=1S/C21H25FN6O/c1-12(2)28-14(4)23-11-18(28)19-17(22)10-24-21(26-19)25-15-7-8-16(13(3)9-15)20(29)27(5)6/h7-12H,1-6H3,(H,24,25,26)
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n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246298
PNG
(CHEMBL487067 | N-(2-hydroxyethyl)-4-(4-(1-isopropy...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)26-14(3)23-12-18(26)17-8-9-22-20(25-17)24-16-6-4-15(5-7-16)19(28)21-10-11-27/h4-9,12-13,27H,10-11H2,1-3H3,(H,21,28)(H,22,24,25)
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PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 18: 6486-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.075
BindingDB Entry DOI: 10.7270/Q23N2377
More data for this
Ligand-Target Pair