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PubMed code 15974586

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14805
PNG
(3-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)
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n/an/a 1.40E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14805
PNG
(3-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)
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n/an/a 1.50E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14803
PNG
(2-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)
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n/an/a 2.30E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14804
PNG
(1-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)
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n/an/a 3.70E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14803
PNG
(2-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)
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n/an/a 5.00E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14804
PNG
(1-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)
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n/an/a 5.50E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14801
PNG
(2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}(methyl)...)
Show SMILES CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
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n/an/a 6.10E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14799
PNG
(2-[5,6-Bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
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n/an/a 1.54E+4n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14800
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)
Show SMILES OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
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n/an/a 2.09E+4n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14802
PNG
((5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acet...)
Show SMILES OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
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n/an/a 2.29E+4n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14799
PNG
(2-[5,6-Bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
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n/an/a 2.94E+4n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14810
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-2-...)
Show SMILES OCC(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14813
PNG
(2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}amino)pr...)
Show SMILES CC(CO)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-14(12-25)24-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-13-22-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14807
PNG
(3-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-pr...)
Show SMILES OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c25-13-7-12-22-20-18-17(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)26-21(18)24-14-23-20/h1-6,8-11,14,25H,7,12-13H2,(H,22,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14812
PNG
((5,6-Diphenyl-furo[2,3-d]pyrimidin-4-yl)-(2-methox...)
Show SMILES COCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-25-13-12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)24-14-23-20/h2-11,14H,12-13H2,1H3,(H,22,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14811
PNG
(N-(2-aminoethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-...)
Show SMILES NCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c21-11-12-22-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)24-13-23-19/h1-10,13H,11-12,21H2,(H,22,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14808
PNG
(Benzyl-(5,6-diphenyl-furo[2,3-d]pyrimidin-4-yl)-am...)
Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H19N3O/c1-4-10-18(11-5-1)16-26-24-22-21(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)29-25(22)28-17-27-24/h1-15,17H,16H2,(H,26,27,28)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14809
PNG
(N-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-yl)-benzami...)
Show SMILES O=C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H17N3O2/c29-24(19-14-8-3-9-15-19)28-23-21-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)30-25(21)27-16-26-23/h1-16H,(H,26,27,28,29)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14806
PNG
(5,6-Diphenyl-furo[2,3-d]pyrimidin-4 -ylamine | 5,6...)
Show SMILES Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c19-17-15-14(12-7-3-1-4-8-12)16(13-9-5-2-6-10-13)22-18(15)21-11-20-17/h1-11H,(H2,19,20,21)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14801
PNG
(2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}(methyl)...)
Show SMILES CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
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n/an/a 1.11E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14800
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)
Show SMILES OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14800
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)
Show SMILES OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14799
PNG
(2-[5,6-Bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14804
PNG
(1-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14803
PNG
(2-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14802
PNG
((5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acet...)
Show SMILES OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14801
PNG
(2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}(methyl)...)
Show SMILES CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM14802
PNG
((5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acet...)
Show SMILES OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM14805
PNG
(3-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%