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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'robertson' and Initial = 'ag'   
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))
BDBM14818
PNG
(2-{[7-(carboxymethoxy)-9-(hydroxyimino)-9H-fluoren...)
Show SMILES OC(=O)COc1ccc-2c(c1)C(N=O)c1cc(OCC(O)=O)ccc-21
Show InChI InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,17H,7-8H2,(H,19,20)(H,21,22)
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n/an/a 1.34E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
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))
BDBM14823
PNG
(2-[(6-amino-9H-purin-8-yl)sulfanyl]acetamide | Asi...)
Show SMILES NC(=O)CSc1nc2ncnc(N)c2[nH]1
Show InChI InChI=1S/C7H8N6OS/c8-3(14)1-15-7-12-4-5(9)10-2-11-6(4)13-7/h2H,1H2,(H2,8,14)(H3,9,10,11,12,13)
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n/an/a 1.56E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14815
PNG
(InterBioScreen compound 2 | N-(3-aminopropyl)-5-ch...)
Show SMILES NCCCNc1nc(F)c(Cl)c(C2c3ccccc3Sc3ccccc23)c1F
Show InChI InChI=1S/C21H18ClF2N3S/c22-18-17(19(23)21(27-20(18)24)26-11-5-10-25)16-12-6-1-3-8-14(12)28-15-9-4-2-7-13(15)16/h1-4,6-9,16H,5,10-11,25H2,(H,26,27)
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n/an/a 1.58E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14822
PNG
(4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1-propyl-1H-1,...)
Show SMILES CCCn1nc(nc1-c1nonc1N)-c1nonc1N
Show InChI InChI=1S/C9H11N9O2/c1-2-3-18-9(5-7(11)17-20-15-5)12-8(13-18)4-6(10)16-19-14-4/h2-3H2,1H3,(H2,10,16)(H2,11,17)
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n/an/a 1.73E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14819
PNG
((1E)-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylid...)
Show SMILES Clc1cc2OCOc2cc1CN=Nc1nnc2c(n1)[nH]c1ccccc21 |w:12.14|
Show InChI InChI=1S/C17H11ClN6O2/c18-11-6-14-13(25-8-26-14)5-9(11)7-19-23-17-21-16-15(22-24-17)10-3-1-2-4-12(10)20-16/h1-6H,7-8H2,(H,20,21,24)
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n/an/a 2.01E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14816
PNG
(6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1H,4H-pyr...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H12N4O3/c1-6-11-12(7-2-3-9(19)10(20)4-7)8(5-15)13(16)21-14(11)18-17-6/h2-4,8,12,16,19-20H,1H3,(H,17,18)
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n/an/a 2.04E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
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)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14817
PNG
(4-{[5-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazol-...)
Show SMILES COc1ccc(Cl)cc1-c1nnc(Nc2ccc(cc2)C(O)=O)s1
Show InChI InChI=1S/C16H12ClN3O3S/c1-23-13-7-4-10(17)8-12(13)14-19-20-16(24-14)18-11-5-2-9(3-6-11)15(21)22/h2-8H,1H3,(H,18,20)(H,21,22)
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n/an/a 2.66E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14821
PNG
((2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan...)
Show SMILES NC[C@H](O)CNc1ccc([N+]([O-])=O)c2cccnc12 |r|
Show InChI InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1
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n/an/a 2.73E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
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))
BDBM14814
PNG
(2-[(6-amino-9H-purin-8-yl)sulfanyl]acetic acid | A...)
Show SMILES Nc1ncnc2nc(SCC(O)=O)[nH]c12
Show InChI InChI=1S/C7H7N5O2S/c8-5-4-6(10-2-9-5)12-7(11-4)15-1-3(13)14/h2H,1H2,(H,13,14)(H3,8,9,10,11,12)
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n/an/a 3.18E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14820
PNG
(3-amino-5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol...)
Show SMILES NN1C(=S)[S+]=C(C1=O)[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C11H6N4O4S2/c12-14-10(17)8(21-11(14)20)7-5-3-4(15(18)19)1-2-6(5)13-9(7)16/h1-3H,12H2,(H,13,16)
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n/an/a 7.27E+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....


Bioorg Med Chem 14: 4792-802 (2006)


Article DOI: 10.1016/j.bmc.2006.03.021
BindingDB Entry DOI: 10.7270/Q2S46Q6S
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))
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))
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))
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))
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))
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
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))
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
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
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
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))
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
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
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))
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))
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))
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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Article
PubMed
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