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Compile Data Set for Download or QSAR

Found 68 hits of Enz. Inhib. data with enzyme = 'CDK2/CycE' and Substrate = 'Histidine-tagged Rb'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (human))
BDBM10085
PNG
((3Z)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-[(3-met...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(CO)C3)c12)N(=O)=O
Show InChI InChI=1S/C20H22N4O5/c1-29-17-6-7-21-15(17)9-13-18-14(22-20(13)26)4-5-16(24(27)28)19(18)23-8-2-3-12(10-23)11-25/h4-7,9,12,21,25H,2-3,8,10-11H2,1H3,(H,22,26)/b13-9-
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n/an/a 2n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10083
PNG
((3Z)-4-(3-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(O)C3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(21-19(12)25)4-5-15(23(26)27)18(17)22-8-2-3-11(24)10-22/h4-7,9,11,20,24H,2-3,8,10H2,1H3,(H,21,25)/b12-9-
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n/an/a 2n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10112
PNG
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12
Show InChI InChI=1S/C20H18FN3O2/c1-26-18-8-10-23-17(18)11-14-19-13(5-4-12-3-2-9-22-12)15(21)6-7-16(19)24-20(14)25/h6-8,10-12,22-23H,2-3,9H2,1H3,(H,24,25)/b14-11-/t12-/m0/s1
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n/an/a 2n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10092
PNG
(C-4 substituted oxindole inhibitor 7p | N-[(3R)-1-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](C3)NC=O)c12)N(=O)=O
Show InChI InChI=1S/C19H19N5O5/c1-29-16-4-6-20-14(16)8-12-17-13(22-19(12)26)2-3-15(24(27)28)18(17)23-7-5-11(9-23)21-10-25/h2-4,6,8,10-11,20H,5,7,9H2,1H3,(H,21,25)(H,22,26)/b12-8-/t11-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10109
PNG
((3Z)-4-[(3R,4S,5R)-4-amino-3,5-dihydroxyhex-1-yn-1...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12
Show InChI InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-10,16,19,23,25-26H,22H2,1-2H3,(H,24,27)/b12-9-/t10-,16-,19+/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM10129
PNG
(7-[(2-aminoethyl)sulfanyl]-9-fluoro-5-(1H-pyrrol-2...)
Show SMILES NCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H14FN3OS/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)23-7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10099
PNG
((3Z)-4-[(3S)-3-amino-4-hydroxybut-1-yn-1-yl]-5-flu...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](N)CO)c12
Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(20)9-23)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-/t10-/m0/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10091
PNG
((-)-(R)-(Z)-4-(3-Amino-pyrrolidinyl)-3-(3-methoxy-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](N)C3)c12)N(=O)=O
Show InChI InChI=1S/C18H19N5O4/c1-27-15-4-6-20-13(15)8-11-16-12(21-18(11)24)2-3-14(23(25)26)17(16)22-7-5-10(19)9-22/h2-4,6,8,10,20H,5,7,9,19H2,1H3,(H,21,24)/b11-8-/t10-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10081
PNG
((-)-(R)-(Z)-4-(3-Hydroxy-pyrrolidinyl)-3-(3-methox...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](O)C3)c12)N(=O)=O
Show InChI InChI=1S/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10084
PNG
((3Z)-4-(4-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-4-7-20-14(16)10-12-17-13(21-19(12)25)2-3-15(23(26)27)18(17)22-8-5-11(24)6-9-22/h2-4,7,10-11,20,24H,5-6,8-9H2,1H3,(H,21,25)/b12-10-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10110
PNG
((3Z)-5-fluoro-4-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCOCC3)c12
Show InChI InChI=1S/C21H19FN2O4/c1-27-18-5-9-23-17(18)12-14-19-13(4-6-21(26)7-10-28-11-8-21)15(22)2-3-16(19)24-20(14)25/h2-3,5,9,12,23,26H,7-8,10-11H2,1H3,(H,24,25)/b14-12-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10113
PNG
((3Z)-5-fluoro-4-{2-[(2S,4R)-4-hydroxypyrrolidin-2-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@@H](O)CN3)c12
Show InChI InChI=1S/C20H18FN3O3/c1-27-18-6-7-22-17(18)9-14-19-13(3-2-11-8-12(25)10-23-11)15(21)4-5-16(19)24-20(14)26/h4-7,9,11-12,22-23,25H,8,10H2,1H3,(H,24,26)/b14-9-/t11-,12-/m1/s1
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10100
PNG
((3Z)-5-fluoro-4-[(3S)-4-hydroxy-3-(methylamino)but...)
Show SMILES CN[C@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F
Show InChI InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m0/s1
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10098
PNG
((3Z)-4-(4-amino-3-hydroxybut-1-yn-1-yl)-5-fluoro-3...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC(O)CN)c12
Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(23)9-20)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10095
PNG
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)
Show SMILES CNCC#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F
Show InChI InChI=1S/C18H16FN3O2/c1-20-8-3-4-11-13(19)5-6-14-17(11)12(18(23)22-14)10-15-16(24-2)7-9-21-15/h5-7,9-10,20-21H,8H2,1-2H3,(H,22,23)/b12-10-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10082
PNG
((+)-(S)-(Z)-4-(3-Hydroxy-pyrrolidinyl)-3-(3-methox...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)N(=O)=O
Show InChI InChI=1S/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10087
PNG
((3Z)-4-{[(1S,3S)-3-hydroxycyclopentyl]amino}-3-[(3...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)C3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(22-19(12)25)4-5-15(23(26)27)18(17)21-10-2-3-11(24)8-10/h4-7,9-11,20-21,24H,2-3,8H2,1H3,(H,22,25)/b12-9-/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10131
PNG
(9-fluoro-5-(1H-pyrrol-2-yl)-7-[(3S)-pyrrolidin-3-y...)
Show SMILES Fc1ccc2NC(=O)c3c(cc(S[C@H]4CCNC4)c1c23)-c1ccc[nH]1
Show InChI InChI=1S/C19H16FN3OS/c20-12-3-4-14-18-16(19(24)23-14)11(13-2-1-6-22-13)8-15(17(12)18)25-10-5-7-21-9-10/h1-4,6,8,10,21-22H,5,7,9H2,(H,23,24)/t10-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10080
PNG
((+)-(S)-(Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylen...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](C3)C(N)=O)c12)N(=O)=O
Show InChI InChI=1S/C19H19N5O5/c1-29-15-4-6-21-13(15)8-11-16-12(22-19(11)26)2-3-14(24(27)28)17(16)23-7-5-10(9-23)18(20)25/h2-4,6,8,10,21H,5,7,9H2,1H3,(H2,20,25)(H,22,26)/b11-8-/t10-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10139
PNG
(3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo...)
Show SMILES Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1
Show InChI InChI=1S/C18H12FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3H2,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10088
PNG
((3Z)-4-{[(1S,3S)-3-aminocyclopentyl]amino}-3-[(3-m...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](N)C3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-7-21-14(16)9-12-17-13(23-19(12)25)4-5-15(24(26)27)18(17)22-11-3-2-10(20)8-11/h4-7,9-11,21-22H,2-3,8,20H2,1H3,(H,23,25)/b12-9-/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10089
PNG
((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-9-21-14(16)10-12-17-13(23-19(12)25)2-3-15(24(26)27)18(17)22-11-4-7-20-8-5-11/h2-3,6,9-11,20-22H,4-5,7-8H2,1H3,(H,23,25)/b12-10-
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10090
PNG
((3Z)-4-(4-aminopiperidin-1-yl)-3-[(3-methoxy-1H-py...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(N)CC3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-4-7-21-14(16)10-12-17-13(22-19(12)25)2-3-15(24(26)27)18(17)23-8-5-11(20)6-9-23/h2-4,7,10-11,21H,5-6,8-9,20H2,1H3,(H,22,25)/b12-10-
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10114
PNG
((3Z)-5-fluoro-4-{2-[(2S,4S)-4-hydroxypyrrolidin-2-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@H](O)CN3)c12
Show InChI InChI=1S/C20H18FN3O3/c1-27-18-6-7-22-17(18)9-14-19-13(3-2-11-8-12(25)10-23-11)15(21)4-5-16(19)24-20(14)26/h4-7,9,11-12,22-23,25H,8,10H2,1H3,(H,24,26)/b14-9-/t11-,12+/m1/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10101
PNG
((3Z)-4-[(3R)-3-amino-4-hydroxybut-1-yn-1-yl]-5-flu...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)CO)c12
Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(20)9-23)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-/t10-/m1/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10086
PNG
((3Z)-4-[(4-hydroxycyclohexyl)amino]-3-[(3-methoxy-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)CC3)c12)N(=O)=O
Show InChI InChI=1S/C20H22N4O5/c1-29-17-8-9-21-15(17)10-13-18-14(23-20(13)26)6-7-16(24(27)28)19(18)22-11-2-4-12(25)5-3-11/h6-12,21-22,25H,2-5H2,1H3,(H,23,26)/b13-10-/t11-,12-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10111
PNG
((3Z)-5-fluoro-4-[2-(4-hydroxypiperidin-4-yl)ethyny...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c12
Show InChI InChI=1S/C21H20FN3O3/c1-28-18-5-9-24-17(18)12-14-19-13(4-6-21(27)7-10-23-11-8-21)15(22)2-3-16(19)25-20(14)26/h2-3,5,9,12,23-24,27H,7-8,10-11H2,1H3,(H,25,26)/b14-12-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10079
PNG
((Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nit...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(C3)C(N)=O)c12)N(=O)=O
Show InChI InChI=1S/C20H21N5O5/c1-30-16-6-7-22-14(16)9-12-17-13(23-20(12)27)4-5-15(25(28)29)18(17)24-8-2-3-11(10-24)19(21)26/h4-7,9,11,22H,2-3,8,10H2,1H3,(H2,21,26)(H,23,27)/b12-9-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10140
PNG
(7-(3-aminopropyl)-9-fluoro-5-(1H-pyrrol-2-yl)-2-az...)
Show SMILES NCCCc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C18H16FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3,7,20H2,(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10106
PNG
((3Z)-5-fluoro-4-[(3R,4R)-4-hydroxy-3-(methylamino)...)
Show SMILES CN[C@H](C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F)[C@@H](C)O
Show InChI InChI=1S/C20H20FN3O3/c1-11(25)15(22-2)6-4-12-14(21)5-7-16-19(12)13(20(26)24-16)10-17-18(27-3)8-9-23-17/h5,7-11,15,22-23,25H,1-3H3,(H,24,26)/b13-10-/t11-,15-/m1/s1
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n/an/a 7n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10102
PNG
((3Z)-5-fluoro-4-[(3R)-4-hydroxy-3-(methylamino)but...)
Show SMILES CN[C@@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F
Show InChI InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m1/s1
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n/an/a 8n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10105
PNG
((3Z)-4-[(3R,4R)-3-amino-4-hydroxypent-1-yn-1-yl]-5...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)[C@@H](C)O)c12
Show InChI InChI=1S/C19H18FN3O3/c1-10(24)14(21)5-3-11-13(20)4-6-15-18(11)12(19(25)23-15)9-16-17(26-2)7-8-22-16/h4,6-10,14,22,24H,21H2,1-2H3,(H,23,25)/b12-9-/t10-,14-/m1/s1
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n/an/a 9n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10118
PNG
(7-(2-aminoethoxy)-9-fluoro-5-(1H-pyrrol-2-yl)-2-az...)
Show SMILES NCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H14FN3O2/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)23-7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)
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n/an/a 12n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10122
PNG
(7-[(2-aminoethyl)amino]-9-fluoro-5-(1H-pyrrol-2-yl...)
Show SMILES NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)
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n/an/a 12n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM10128
PNG
(9-fluoro-7-[(2-hydroxyethyl)sulfanyl]-5-(1H-pyrrol...)
Show SMILES OCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H13FN2O2S/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)23-7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22)
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n/an/a 14n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10133
PNG
(9-fluoro-7-[(2-hydroxyethane)sulfonyl]-5-(1H-pyrro...)
Show SMILES OCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H13FN2O4S/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)25(23,24)7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10115
PNG
(9-fluoro-7-methoxy-5-(1H-pyrrol-2-yl)-2-azatricycl...)
Show SMILES COc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C16H11FN2O2/c1-21-12-7-8(10-3-2-6-18-10)13-15-11(19-16(13)20)5-4-9(17)14(12)15/h2-7,18H,1H3,(H,19,20)
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n/an/a 18n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10119
PNG
(9-fluoro-7-(3-hydroxypropoxy)-5-(1H-pyrrol-2-yl)-2...)
Show SMILES OCCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C18H15FN2O3/c19-11-4-5-13-17-15(18(23)21-13)10(12-3-1-6-20-12)9-14(16(11)17)24-8-2-7-22/h1,3-6,9,20,22H,2,7-8H2,(H,21,23)
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n/an/a 18n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10107
PNG
((3Z)-4-[(3R,4R)-3-(ethylamino)-4-hydroxypent-1-yn-...)
Show SMILES CCN[C@H](C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F)[C@@H](C)O
Show InChI InChI=1S/C21H22FN3O3/c1-4-23-16(12(2)26)7-5-13-15(22)6-8-17-20(13)14(21(27)25-17)11-18-19(28-3)9-10-24-18/h6,8-12,16,23-24,26H,4H2,1-3H3,(H,25,27)/b14-11-/t12-,16-/m1/s1
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n/an/a 18n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10130
PNG
(9-fluoro-5-(1H-pyrrol-2-yl)-7-[(2R)-pyrrolidin-2-y...)
Show SMILES Fc1ccc2NC(=O)c3c(cc(S[C@@H]4CCCN4)c1c23)-c1ccc[nH]1
Show InChI InChI=1S/C19H16FN3OS/c20-11-5-6-13-18-16(19(24)23-13)10(12-3-1-7-21-12)9-14(17(11)18)25-15-4-2-8-22-15/h1,3,5-7,9,15,21-22H,2,4,8H2,(H,23,24)/t15-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10103
PNG
((3Z)-4-[(3R)-3-(ethylamino)-4-hydroxybut-1-yn-1-yl...)
Show SMILES CCN[C@@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F
Show InChI InChI=1S/C20H20FN3O3/c1-3-22-12(11-25)4-5-13-15(21)6-7-16-19(13)14(20(26)24-16)10-17-18(27-2)8-9-23-17/h6-10,12,22-23,25H,3,11H2,1-2H3,(H,24,26)/b14-10-/t12-/m1/s1
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n/an/a 21n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10096
PNG
((3Z)-5-fluoro-4-[(3R)-3-hydroxybut-1-yn-1-yl]-3-[(...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](C)O)c12
Show InChI InChI=1S/C18H15FN2O3/c1-10(22)3-4-11-13(19)5-6-14-17(11)12(18(23)21-14)9-15-16(24-2)7-8-20-15/h5-10,20,22H,1-2H3,(H,21,23)/b12-9-/t10-/m1/s1
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n/an/a 21n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10134
PNG
(7-[(2-aminoethane)sulfonyl]-9-fluoro-5-(1H-pyrrol-...)
Show SMILES NCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H14FN3O3S/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)25(23,24)7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)
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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10097
PNG
((3Z)-5-fluoro-4-[(3S)-3-hydroxybut-1-yn-1-yl]-3-[(...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](C)O)c12
Show InChI InChI=1S/C18H15FN2O3/c1-10(22)3-4-11-13(19)5-6-14-17(11)12(18(23)21-14)9-15-16(24-2)7-8-20-15/h5-10,20,22H,1-2H3,(H,21,23)/b12-9-/t10-/m0/s1
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n/an/a 26n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10078
PNG
((Z)-4-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nit...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCNC(C3)C(N)=O)c12)N(=O)=O
Show InChI InChI=1S/C19H20N6O5/c1-30-15-4-5-21-12(15)8-10-16-11(23-19(10)27)2-3-14(25(28)29)17(16)24-7-6-22-13(9-24)18(20)26/h2-5,8,13,21-22H,6-7,9H2,1H3,(H2,20,26)(H,23,27)/b10-8-
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n/an/a 28n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10132
PNG
(7-[(2-aminoethane)sulfinyl]-9-fluoro-5-(1H-pyrrol-...)
Show SMILES NCCS(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H14FN3O2S/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)24(23)7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)
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n/an/a 28n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10076
PNG
((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(cc12)N(=O)=O
Show InChI InChI=1S/C14H11N3O4/c1-21-13-4-5-15-12(13)7-10-9-6-8(17(19)20)2-3-11(9)16-14(10)18/h2-7,15H,1H3,(H,16,18)/b10-7-
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n/an/a 39n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10108
PNG
(4-alkynyl oxindole 7n | N-[(3R,4R)-1-[(3Z)-5-fluor...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](NS(C)(=O)=O)[C@@H](C)O)c12
Show InChI InChI=1S/C20H20FN3O5S/c1-11(25)15(24-30(3,27)28)6-4-12-14(21)5-7-16-19(12)13(20(26)23-16)10-17-18(29-2)8-9-22-17/h5,7-11,15,22,24-25H,1-3H3,(H,23,26)/b13-10-/t11-,15-/m1/s1
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n/an/a 45n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10123
PNG
(7-[(3-aminopropyl)amino]-9-fluoro-5-(1H-pyrrol-2-y...)
Show SMILES NCCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C18H17FN4O/c19-11-4-5-13-17-15(18(24)23-13)10(12-3-1-7-21-12)9-14(16(11)17)22-8-2-6-20/h1,3-5,7,9,21-22H,2,6,8,20H2,(H,23,24)
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n/an/a 48n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10121
PNG
(9-fluoro-7-[(2-hydroxyethyl)amino]-5-(1H-pyrrol-2-...)
Show SMILES OCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
Show InChI InChI=1S/C17H14FN3O2/c18-10-3-4-12-16-14(17(23)21-12)9(11-2-1-5-19-11)8-13(15(10)16)20-6-7-22/h1-5,8,19-20,22H,6-7H2,(H,21,23)
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n/an/a 54n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 13: 2465-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00488-8
BindingDB Entry DOI: 10.7270/Q2W37TJG
More data for this
Ligand-Target Pair
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