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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'jewsbury' and Initial = 'pj'   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM7647
PNG
(4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427322
PNG
(CHEMBL2325703)
Show SMILES CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427320
PNG
(CHEMBL2325705)
Show SMILES CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)22(6-11-29-12-7-22)19-15-20(26-9-13-30-14-10-26)25-21(24-19)17-3-2-4-18-16(17)5-8-23-18/h2-5,8,15,23H,6-7,9-14H2,1H3
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427326
PNG
(CHEMBL2325697)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
Show InChI InChI=1/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/s2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against Epidermal growth factor receptor tyrosine kinase activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427314
PNG
(CHEMBL2325711)
Show SMILES O=S(=O)(c1ccccc1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7649
PNG
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)
Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 6n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427327
PNG
(CHEMBL2325699)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CC2CCC(C1)O2
Show InChI InChI=1/C22H24N4O3S/c1-30(27,28)22(8-9-22)19-11-20(26-12-14-5-6-15(13-26)29-14)25-21(24-19)17-3-2-4-18-16(17)7-10-23-18/h2-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1H3
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427321
PNG
(CHEMBL2325704)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)20(6-7-20)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-3-2-4-16-14(15)5-8-21-16/h2-5,8,13,21H,6-7,9-12H2,1H3
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427305
PNG
(CHEMBL2325720)
Show SMILES Cc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1
Show InChI InChI=1S/C21H24N4O3S/c1-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)29(2,26)27)13-19(24-20)25-7-9-28-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427319
PNG
(CHEMBL2325706)
Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153870
PNG
(CHEMBL184052 | N-[3-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2cc1OC
Show InChI InChI=1S/C28H29N5O4/c1-18-7-8-20(31-28(34)19-5-4-6-21(13-19)33-9-11-37-12-10-33)14-23(18)32-27-22-15-25(35-2)26(36-3)16-24(22)29-17-30-27/h4-8,13-17H,9-12H2,1-3H3,(H,31,34)(H,29,30,32)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7628
PNG
(2,4-bis anilino pyrimidine deriv. 24 | 5-bromo-2-N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(n2)N(CCCC(F)(F)F)c2ccccc2)cc1
Show InChI InChI=1/C25H29BrF3N5O2/c1-33(2)16-20(35)17-36-21-11-9-18(10-12-21)31-24-30-15-22(26)23(32-24)34(14-6-13-25(27,28)29)19-7-4-3-5-8-19/h3-5,7-12,15,20,35H,6,13-14,16-17H2,1-2H3,(H,30,31,32)
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AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153861
PNG
(3-Fluoro-N-[4-methyl-3-(2-methylsulfanyl-pyrimidin...)
Show SMILES CSc1nccc(Nc2cc(NC(=O)c3cc(F)cc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C23H24FN5O2S/c1-15-3-4-18(14-20(15)27-21-5-6-25-23(28-21)32-2)26-22(30)16-11-17(24)13-19(12-16)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,26,30)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153858
PNG
(CHEMBL185328 | N-[3-(2-Chloro-pyrimidin-4-ylamino)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(Cl)n1
Show InChI InChI=1S/C21H21ClN6O2/c1-14-2-3-16(13-17(14)26-18-5-7-24-21(22)27-18)25-20(29)15-4-6-23-19(12-15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H,25,29)(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427317
PNG
(CHEMBL2325708)
Show SMILES CC(C)S(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C22H26N4O3S/c1-15(2)30(27,28)22(7-8-22)19-14-20(26-10-12-29-13-11-26)25-21(24-19)17-4-3-5-18-16(17)6-9-23-18/h3-6,9,14-15,23H,7-8,10-13H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427297
PNG
(CHEMBL2325439)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(F)cc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C20H21FN4O3S/c1-29(26,27)20(3-4-20)17-12-18(25-6-8-28-9-7-25)24-19(23-17)15-10-13(21)11-16-14(15)2-5-22-16/h2,5,10-12,22H,3-4,6-9H2,1H3
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427296
PNG
(CHEMBL2325440)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(Cl)cc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C20H21ClN4O3S/c1-29(26,27)20(3-4-20)17-12-18(25-6-8-28-9-7-25)24-19(23-17)15-10-13(21)11-16-14(15)2-5-22-16/h2,5,10-12,22H,3-4,6-9H2,1H3
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153865
PNG
(CHEMBL184271 | N-{3-[7-Methoxy-6-(2-morpholin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C32H37N7O5/c1-22-3-4-24(36-32(40)23-5-6-33-30(17-23)39-10-14-43-15-11-39)18-26(22)37-31-25-19-29(28(41-2)20-27(25)34-21-35-31)44-16-9-38-7-12-42-13-8-38/h3-6,17-21H,7-16H2,1-2H3,(H,36,40)(H,34,35,37)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427295
PNG
(CHEMBL2325695)
Show SMILES COc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1
Show InChI InChI=1S/C21H24N4O4S/c1-28-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)30(2,26)27)13-19(24-20)25-7-9-29-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427307
PNG
(CHEMBL2325718)
Show SMILES Cc1cc2c(cccc2[nH]1)-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O3S/c1-14-12-16-15(4-3-5-17(16)22-14)20-23-18(21(6-7-21)29(2,26)27)13-19(24-20)25-8-10-28-11-9-25/h3-5,12-13,22H,6-11H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153871
PNG
(CHEMBL365614 | N-{4-Methyl-3-[2-(1-methyl-piperidi...)
Show SMILES CN1CCCC(COc2nccc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)n2)C1
Show InChI InChI=1/C28H35N7O3/c1-20-5-6-23(31-27(36)22-7-9-29-26(16-22)35-12-14-37-15-13-35)17-24(20)32-25-8-10-30-28(33-25)38-19-21-4-3-11-34(2)18-21/h5-10,16-17,21H,3-4,11-15,18-19H2,1-2H3,(H,31,36)(H,30,32,33)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153876
PNG
(CHEMBL188114 | N-{3-[6-(2-Dimethylamino-ethoxy)-7-...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN(C)C
Show InChI InChI=1S/C30H35N7O4/c1-20-5-6-22(34-30(38)21-7-8-31-28(15-21)37-10-12-40-13-11-37)16-24(20)35-29-23-17-27(41-14-9-36(2)3)26(39-4)18-25(23)32-19-33-29/h5-8,15-19H,9-14H2,1-4H3,(H,34,38)(H,32,33,35)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50384254
PNG
(CHEMBL2030442)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153857
PNG
(CHEMBL186665 | N-{3-[2-(3-Dimethylamino-propoxy)-p...)
Show SMILES CN(C)CCCOc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C26H33N7O3/c1-19-5-6-21(29-25(34)20-7-9-27-24(17-20)33-12-15-35-16-13-33)18-22(19)30-23-8-10-28-26(31-23)36-14-4-11-32(2)3/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,34)(H,28,30,31)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153880
PNG
(CHEMBL364576 | N-[3-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N(C)C)ccc3C)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-16-9-10-18(29-26(32)17-7-6-8-19(11-17)31(2)3)12-21(16)30-25-20-13-23(33-4)24(34-5)14-22(20)27-15-28-25/h6-15H,1-5H3,(H,29,32)(H,27,28,30)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153859
PNG
(CHEMBL184659 | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1
Show InChI InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7646
PNG
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 32n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427313
PNG
(CHEMBL2325712)
Show SMILES O=S(=O)(c1ccccn1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C24H23N5O3S/c30-33(31,22-6-1-2-10-26-22)24(8-9-24)20-16-21(29-12-14-32-15-13-29)28-23(27-20)18-4-3-5-19-17(18)7-11-25-19/h1-7,10-11,16,25H,8-9,12-15H2
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427316
PNG
(CHEMBL2325709)
Show SMILES O=S(=O)(C1CCOCC1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C24H28N4O4S/c29-33(30,17-5-12-31-13-6-17)24(7-8-24)21-16-22(28-10-14-32-15-11-28)27-23(26-21)19-2-1-3-20-18(19)4-9-25-20/h1-4,9,16-17,25H,5-8,10-15H2
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427329
PNG
(CHEMBL2325696)
Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
Show InChI InChI=1/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/s2
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n/an/a 34n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7645
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyr...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-13-17(23-12-6-5-9-16(23)20-13)15-10-11-19-18(22-15)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22)
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n/an/a 36n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50427326
PNG
(CHEMBL2325697)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
Show InChI InChI=1/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/s2
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153874
PNG
(CHEMBL187007 | N-[4-Chloro-3-(6,7-dimethoxy-quinaz...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N(C)C)ccc3Cl)c2cc1OC
Show InChI InChI=1S/C25H24ClN5O3/c1-31(2)17-7-5-6-15(10-17)25(32)29-16-8-9-19(26)21(11-16)30-24-18-12-22(33-3)23(34-4)13-20(18)27-14-28-24/h5-14H,1-4H3,(H,29,32)(H,27,28,30)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153852
PNG
(CHEMBL185315 | N-(4-methyl-3-(2-(1-methylpiperidin...)
Show SMILES CN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C27H33N7O3/c1-19-3-4-21(30-26(35)20-5-9-28-25(17-20)34-13-15-36-16-14-34)18-23(19)31-24-6-10-29-27(32-24)37-22-7-11-33(2)12-8-22/h3-6,9-10,17-18,22H,7-8,11-16H2,1-2H3,(H,30,35)(H,29,31,32)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153875
PNG
(CHEMBL361431 | N-{4-Methyl-3-[2-(1-propyl-piperidi...)
Show SMILES CCCN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3cccc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C30H38N6O3/c1-3-13-35-14-10-26(11-15-35)39-30-31-12-9-28(34-30)33-27-21-24(8-7-22(27)2)32-29(37)23-5-4-6-25(20-23)36-16-18-38-19-17-36/h4-9,12,20-21,26H,3,10-11,13-19H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427298
PNG
(CHEMBL2325438)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(cc2[nH]ccc12)C(N)=O)N1CCOCC1
Show InChI InChI=1S/C21H23N5O4S/c1-31(28,29)21(3-4-21)17-12-18(26-6-8-30-9-7-26)25-20(24-17)15-10-13(19(22)27)11-16-14(15)2-5-23-16/h2,5,10-12,23H,3-4,6-9H2,1H3,(H2,22,27)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427315
PNG
(CHEMBL2325710)
Show SMILES O=S(=O)(C1CCNCC1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C24H29N5O3S/c30-33(31,17-4-9-25-10-5-17)24(7-8-24)21-16-22(29-12-14-32-15-13-29)28-23(27-21)19-2-1-3-20-18(19)6-11-26-20/h1-3,6,11,16-17,25-26H,4-5,7-10,12-15H2
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n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427326
PNG
(CHEMBL2325697)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
Show InChI InChI=1/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/s2
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153867
PNG
(CHEMBL184725 | N-{4-Methyl-3-[2-(1-propyl-piperidi...)
Show SMILES CCCN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C29H37N7O3/c1-3-12-35-13-8-24(9-14-35)39-29-31-11-7-26(34-29)33-25-20-23(5-4-21(25)2)32-28(37)22-6-10-30-27(19-22)36-15-17-38-18-16-36/h4-7,10-11,19-20,24H,3,8-9,12-18H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153853
PNG
(CHEMBL188167 | N-{3-[7-Methoxy-6-(2-piperidin-1-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C33H39N7O4/c1-23-6-7-25(37-33(41)24-8-9-34-31(18-24)40-13-15-43-16-14-40)19-27(23)38-32-26-20-30(29(42-2)21-28(26)35-22-36-32)44-17-12-39-10-4-3-5-11-39/h6-9,18-22H,3-5,10-17H2,1-2H3,(H,37,41)(H,35,36,38)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153878
PNG
(CHEMBL186580 | N-[5-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)c(F)cc3F)c2cc1OC
Show InChI InChI=1S/C23H18F2N4O3/c1-31-20-8-14-17(11-21(20)32-2)26-12-27-22(14)28-18-10-19(16(25)9-15(18)24)29-23(30)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,29,30)(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153879
PNG
(CHEMBL426969 | N-{4-Methyl-3-[2-(3-pyrrolidin-1-yl...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(NCCCN2CCCC2)n1
Show InChI InChI=1S/C28H36N8O2/c1-21-5-6-23(32-27(37)22-7-10-29-26(19-22)36-15-17-38-18-16-36)20-24(21)33-25-8-11-31-28(34-25)30-9-4-14-35-12-2-3-13-35/h5-8,10-11,19-20H,2-4,9,12-18H2,1H3,(H,32,37)(H2,30,31,33,34)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153884
PNG
(CHEMBL363462 | N-{3-[6-(2-Diisopropylamino-ethoxy)...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C34H43N7O4/c1-22(2)41(23(3)4)13-16-45-31-19-27-29(20-30(31)43-6)36-21-37-33(27)39-28-18-26(8-7-24(28)5)38-34(42)25-9-10-35-32(17-25)40-11-14-44-15-12-40/h7-10,17-23H,11-16H2,1-6H3,(H,38,42)(H,36,37,39)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(H,27,28,29)
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n/an/a 50n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427318
PNG
(CHEMBL2325707)
Show SMILES CN1CCC(CC1)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C23H29N5O3S/c1-27-10-7-23(8-11-27,32(2,29)30)20-16-21(28-12-14-31-15-13-28)26-22(25-20)18-4-3-5-19-17(18)6-9-24-19/h3-6,9,16,24H,7-8,10-15H2,1-2H3
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427301
PNG
(CHEMBL2325724)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(cc2[nH]ccc12)C#N)N1CCOCC1
Show InChI InChI=1S/C21H21N5O3S/c1-30(27,28)21(3-4-21)18-12-19(26-6-8-29-9-7-26)25-20(24-18)16-10-14(13-22)11-17-15(16)2-5-23-17/h2,5,10-12,23H,3-4,6-9H2,1H3
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n/an/a 66n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153854
PNG
(CHEMBL184555 | N-[3-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)ccc3C)c2cc1OC
Show InChI InChI=1S/C24H22N4O3/c1-15-9-10-17(27-24(29)16-7-5-4-6-8-16)11-19(15)28-23-18-12-21(30-2)22(31-3)13-20(18)25-14-26-23/h4-14H,1-3H3,(H,27,29)(H,25,26,28)
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n/an/a 70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153881
PNG
(CHEMBL362902 | N-{3-[2-(3-Dimethylamino-2,2-dimeth...)
Show SMILES CN(C)CC(C)(C)COc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C28H37N7O3/c1-20-6-7-22(31-26(36)21-8-10-29-25(16-21)35-12-14-37-15-13-35)17-23(20)32-24-9-11-30-27(33-24)38-19-28(2,3)18-34(4)5/h6-11,16-17H,12-15,18-19H2,1-5H3,(H,31,36)(H,30,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
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