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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'garrabrant' and Initial = 't'   
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 Aurora-A


(Mus musculus (mouse))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 0.600n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14208
PNG
(3-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-...)
Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
Show InChI InChI=1S/C18H13N5O2/c24-17(25)12-4-3-5-14(10-12)21-18-20-11-13-7-9-23(16(13)22-18)15-6-1-2-8-19-15/h1-11H,(H,24,25)(H,20,21,22)
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n/an/a 0.600n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14192
PNG
(3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...)
Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)
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n/an/a 0.600n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14209
PNG
(4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)
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Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM14209
PNG
(4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)
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n/an/a<1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of poly(Glu:Tyr) by purified recombinant human FLT3. The extent of phospho...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14201
PNG
(N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenyl-7H-p...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1
Show InChI InChI=1S/C23H24N6/c1-27-12-14-28(15-13-27)21-9-5-6-19(16-21)25-23-24-17-18-10-11-29(22(18)26-23)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
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n/an/a 3n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14207
PNG
(N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-2-...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
Show InChI InChI=1S/C22H23N7/c1-27-11-13-28(14-12-27)19-6-4-5-18(15-19)25-22-24-16-17-8-10-29(21(17)26-22)20-7-2-3-9-23-20/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)
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n/an/a 5n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14203
PNG
(7-(3-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C24H26N6O/c1-28-11-13-29(14-12-28)20-6-3-5-19(15-20)26-24-25-17-18-9-10-30(23(18)27-24)21-7-4-8-22(16-21)31-2/h3-10,15-17H,11-14H2,1-2H3,(H,25,26,27)
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n/an/a 6n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14191
PNG
(N-{7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}-4...)
Show SMILES COCCN1CCN(CC1)Nc1ncc2ccn(C3CCCCC3)c2n1
Show InChI InChI=1S/C19H30N6O/c1-26-14-13-23-9-11-24(12-10-23)22-19-20-15-16-7-8-25(18(16)21-19)17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,20,21,22)
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n/an/a 6n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14197
PNG
(7-(3-methanesulfonylphenyl)-N-[4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
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n/an/a 9n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14200
PNG
(7-(3-methanesulfonylphenyl)-N-[3-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-11-13-29(14-12-28)20-6-3-5-19(15-20)26-24-25-17-18-9-10-30(23(18)27-24)21-7-4-8-22(16-21)33(2,31)32/h3-10,15-17H,11-14H2,1-2H3,(H,25,26,27)
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n/an/a 10n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14205
PNG
(3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(N)=O)c3n2)c1
Show InChI InChI=1S/C24H25N7O/c1-29-10-12-30(13-11-29)20-6-3-5-19(15-20)27-24-26-16-18-8-9-31(23(18)28-24)21-7-2-4-17(14-21)22(25)32/h2-9,14-16H,10-13H2,1H3,(H2,25,32)(H,26,27,28)
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n/an/a 11n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14193
PNG
(4-[4-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-y...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C22H27N5O2S/c28-30(29)14-12-26(13-15-30)19-8-6-18(7-9-19)24-22-23-16-17-10-11-27(21(17)25-22)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)
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n/an/a 12n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14199
PNG
(N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccnc4)c3n2)c1
Show InChI InChI=1S/C22H23N7/c1-27-10-12-28(13-11-27)19-5-2-4-18(14-19)25-22-24-15-17-7-9-29(21(17)26-22)20-6-3-8-23-16-20/h2-9,14-16H,10-13H2,1H3,(H,24,25,26)
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n/an/a 12n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14202
PNG
(3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)c1
Show InChI InChI=1S/C24H23N7/c1-29-10-12-30(13-11-29)21-6-3-5-20(15-21)27-24-26-17-19-8-9-31(23(19)28-24)22-7-2-4-18(14-22)16-25/h2-9,14-15,17H,10-13H2,1H3,(H,26,27,28)
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n/an/a 13n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14196
PNG
(N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc1
Show InChI InChI=1S/C22H23N7/c1-27-11-13-28(14-12-27)19-6-4-18(5-7-19)25-22-24-15-17-8-10-29(21(17)26-22)20-3-2-9-23-16-20/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)
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n/an/a 13n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14195
PNG
(7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
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n/an/a 18n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14198
PNG
(7-(2,3-dihydro-1H-inden-2-yl)-N-[4-(4-methylpipera...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4Cc5ccccc5C4)c3n2)cc1
Show InChI InChI=1S/C26H28N6/c1-30-12-14-31(15-13-30)23-8-6-22(7-9-23)28-26-27-18-21-10-11-32(25(21)29-26)24-16-19-4-2-3-5-20(19)17-24/h2-11,18,24H,12-17H2,1H3,(H,27,28,29)
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Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14204
PNG
(N-[3-(4-methylpiperazin-1-yl)phenyl]-7-[3-(propan-...)
Show SMILES CC(C)c1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N6/c1-19(2)20-6-4-9-24(16-20)32-11-10-21-18-27-26(29-25(21)32)28-22-7-5-8-23(17-22)31-14-12-30(3)13-15-31/h4-11,16-19H,12-15H2,1-3H3,(H,27,28,29)
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n/an/a 29n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14194
PNG
(7-{bicyclo[2.2.1]heptan-2-yl}-N-[4-(4-methylpipera...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CC5CCC4C5)c3n2)cc1
Show InChI InChI=1/C24H30N6/c1-28-10-12-29(13-11-28)21-6-4-20(5-7-21)26-24-25-16-19-8-9-30(23(19)27-24)22-15-17-2-3-18(22)14-17/h4-9,16-18,22H,2-3,10-15H2,1H3,(H,25,26,27)
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n/an/a 29n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14189
PNG
(7-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C23H30N6/c1-27-13-15-28(16-14-27)20-9-7-19(8-10-20)25-23-24-17-18-11-12-29(22(18)26-23)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,24,25,26)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14210
PNG
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 39n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14194
PNG
(7-{bicyclo[2.2.1]heptan-2-yl}-N-[4-(4-methylpipera...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CC5CCC4C5)c3n2)cc1
Show InChI InChI=1/C24H30N6/c1-28-10-12-29(13-11-28)21-6-4-20(5-7-21)26-24-25-16-19-8-9-30(23(19)27-24)22-15-17-2-3-18(22)14-17/h4-9,16-18,22H,2-3,10-15H2,1H3,(H,25,26,27)
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n/an/a 39n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14189
PNG
(7-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C23H30N6/c1-27-13-15-28(16-14-27)20-9-7-19(8-10-20)25-23-24-17-18-11-12-29(22(18)26-23)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,24,25,26)
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n/an/a 47n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14190
PNG
(7-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-7H-pyrro...)
Show SMILES C1CCC(CC1)n1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C22H27N5O/c1-2-4-20(5-3-1)27-11-10-17-16-23-22(25-21(17)27)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)
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n/an/a 49n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14191
PNG
(N-{7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}-4...)
Show SMILES COCCN1CCN(CC1)Nc1ncc2ccn(C3CCCCC3)c2n1
Show InChI InChI=1S/C19H30N6O/c1-26-14-13-23-9-11-24(12-10-23)22-19-20-15-16-7-8-25(18(16)21-19)17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,20,21,22)
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n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14195
PNG
(7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
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n/an/a 340n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14192
PNG
(3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...)
Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)
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n/an/a 350n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14190
PNG
(7-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-7H-pyrro...)
Show SMILES C1CCC(CC1)n1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C22H27N5O/c1-2-4-20(5-3-1)27-11-10-17-16-23-22(25-21(17)27)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)
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n/an/a 600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14206
PNG
(N-cyclopentyl-3-(2-{[3-(4-methylpiperazin-1-yl)phe...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)c1
Show InChI InChI=1S/C29H33N7O/c1-34-14-16-35(17-15-34)25-10-5-9-24(19-25)32-29-30-20-22-12-13-36(27(22)33-29)26-11-4-6-21(18-26)28(37)31-23-7-2-3-8-23/h4-6,9-13,18-20,23H,2-3,7-8,14-17H2,1H3,(H,31,37)(H,30,32,33)
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n/an/a 820n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14193
PNG
(4-[4-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-y...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C22H27N5O2S/c28-30(29)14-12-26(13-15-30)19-8-6-18(7-9-19)24-22-23-16-17-10-11-27(21(17)25-22)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14196
PNG
(N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc1
Show InChI InChI=1S/C22H23N7/c1-27-11-13-28(14-12-27)19-6-4-18(5-7-19)25-22-24-15-17-8-10-29(21(17)26-22)20-3-2-9-23-16-20/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14197
PNG
(7-(3-methanesulfonylphenyl)-N-[4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM14198
PNG
(7-(2,3-dihydro-1H-inden-2-yl)-N-[4-(4-methylpipera...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4Cc5ccccc5C4)c3n2)cc1
Show InChI InChI=1S/C26H28N6/c1-30-12-14-31(15-13-30)23-8-6-22(7-9-23)28-26-27-18-21-10-11-32(25(21)29-26)24-16-19-4-2-3-5-20(19)17-24/h2-11,18,24H,12-17H2,1H3,(H,27,28,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair