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31 similar compounds to monomer 26287

Compile data set for download or QSAR
Wt: 545.6
BDBM26272
Wt: 563.6
BDBM26273
Wt: 563.6
BDBM26274
Wt: 563.6
BDBM26275
Wt: 581.6
BDBM26276
Wt: 581.6
BDBM26277
Wt: 580.0
BDBM26278
Wt: 570.6
BDBM26279
Wt: 590.6
BDBM26280
Wt: 561.6
BDBM26281
Wt: 575.6
BDBM26282
Wt: 613.6
BDBM26283
Wt: 567.5
BDBM26284
Wt: 567.5
BDBM26285
Wt: 596.6
BDBM26286
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 26272,26273,26274,26275,26276,26277,26278,26279,26280,26281,26282,26283,26284,26285,26286   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM26277
PNG
(N-(3,5-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H33F2N7O4/c1-41-25-14-23-24(15-26(25)42-8-2-5-38-6-3-18(16-39)4-7-38)32-17-33-29(23)35-27-12-22(36-37-27)13-28(40)34-21-10-19(30)9-20(31)11-21/h9-12,14-15,17-18,39H,2-8,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)
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1 -12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26285
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2S)-2-(hydrox...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m0/s1
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<1<-12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26286
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1
Show InChI InChI=1S/C29H34F2N8O4/c1-42-24-16-20-23(17-25(24)43-13-3-6-38-7-9-39(10-8-38)11-12-40)32-18-33-29(20)35-26-14-19(36-37-26)15-27(41)34-22-5-2-4-21(30)28(22)31/h2,4-5,14,16-18,40H,3,6-13,15H2,1H3,(H,34,41)(H2,32,33,35,36,37)
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<1<-12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26284
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydrox...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m1/s1
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1 -12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26274
PNG
(CHEMBL216769 | N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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2 -11.7n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26276
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H33F2N7O4/c1-41-24-14-20-23(15-25(24)42-11-3-8-38-9-6-18(16-39)7-10-38)32-17-33-29(20)35-26-12-19(36-37-26)13-27(40)34-22-5-2-4-21(30)28(22)31/h2,4-5,12,14-15,17-18,39H,3,6-11,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)
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2 -11.7n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26278
PNG
(N-(3-chlorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(Cl)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34ClN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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8 -10.9n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26282
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
Show InChI InChI=1S/C30H37N7O5/c1-40-23-6-3-5-21(13-23)33-29(39)15-22-14-28(36-35-22)34-30-24-16-26(41-2)27(17-25(24)31-19-32-30)42-12-4-9-37-10-7-20(18-38)8-11-37/h3,5-6,13-14,16-17,19-20,38H,4,7-12,15,18H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)
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9 -10.9n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26283
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C(F)(F)F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C30H34F3N7O4/c1-43-25-15-23-24(16-26(25)44-11-3-8-40-9-6-19(17-41)7-10-40)34-18-35-29(23)37-27-13-22(38-39-27)14-28(42)36-21-5-2-4-20(12-21)30(31,32)33/h2,4-5,12-13,15-16,18-19,41H,3,6-11,14,17H2,1H3,(H,36,42)(H2,34,35,37,38,39)
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13 -10.6n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26273
PNG
(N-(2-fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-21-24(16-26(25)41-12-4-9-37-10-7-19(17-38)8-11-37)31-18-32-29(21)34-27-13-20(35-36-27)14-28(39)33-23-6-3-2-5-22(23)30/h2-3,5-6,13,15-16,18-19,38H,4,7-12,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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14 -10.6n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26272
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H35N7O4/c1-39-25-16-23-24(17-26(25)40-13-5-10-36-11-8-20(18-37)9-12-36)30-19-31-29(23)33-27-14-22(34-35-27)15-28(38)32-21-6-3-2-4-7-21/h2-4,6-7,14,16-17,19-20,37H,5,8-13,15,18H2,1H3,(H,32,38)(H2,30,31,33,34,35)
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18 -10.5n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26275
PNG
(N-(4-fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccc(F)cc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-12-2-9-37-10-7-19(17-38)8-11-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-3-20(30)4-6-21/h3-6,13,15-16,18-19,38H,2,7-12,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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30 -10.2n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26280
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34N8O6/c1-42-25-15-23-24(16-26(25)43-11-3-8-36-9-6-19(17-38)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(12-20)37(40)41/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)
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39 -10.0n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26285
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2S)-2-(hydrox...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m0/s1
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39 -10.1n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26286
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1
Show InChI InChI=1S/C29H34F2N8O4/c1-42-24-16-20-23(17-25(24)43-13-3-6-38-7-9-39(10-8-38)11-12-40)32-18-33-29(20)35-26-14-19(36-37-26)15-27(41)34-22-5-2-4-21(30)28(22)31/h2,4-5,14,16-18,40H,3,6-13,15H2,1H3,(H,34,41)(H2,32,33,35,36,37)
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55 -9.90n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26279
PNG
(N-(3-cyanophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)pi...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C30H34N8O4/c1-41-26-15-24-25(16-27(26)42-11-3-8-38-9-6-20(18-39)7-10-38)32-19-33-30(24)35-28-13-23(36-37-28)14-29(40)34-22-5-2-4-21(12-22)17-31/h2,4-5,12-13,15-16,19-20,39H,3,6-11,14,18H2,1H3,(H,34,40)(H2,32,33,35,36,37)
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83 -9.56n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26284
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydrox...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m1/s1
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94 -9.58n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26281
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(O)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H35N7O5/c1-40-25-15-23-24(16-26(25)41-11-3-8-36-9-6-19(17-37)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(38)12-20/h2,4-5,12-13,15-16,18-19,37-38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)
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140 -9.25n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26277
PNG
(N-(3,5-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H33F2N7O4/c1-41-25-14-23-24(15-26(25)42-8-2-5-38-6-3-18(16-39)4-7-38)32-17-33-29(23)35-27-12-22(36-37-27)13-28(40)34-21-10-19(30)9-20(31)11-21/h9-12,14-15,17-18,39H,2-8,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)
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230 -9.05n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26276
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H33F2N7O4/c1-41-24-14-20-23(15-25(24)42-11-3-8-38-9-6-18(16-39)7-10-38)32-17-33-29(20)35-26-12-19(36-37-26)13-27(40)34-22-5-2-4-21(30)28(22)31/h2,4-5,12,14-15,17-18,39H,3,6-11,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)
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410 -8.71n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26274
PNG
(CHEMBL216769 | N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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450 -8.65n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26278
PNG
(N-(3-chlorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(Cl)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34ClN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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450 -8.65n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26283
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C(F)(F)F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C30H34F3N7O4/c1-43-25-15-23-24(16-26(25)44-11-3-8-40-9-6-19(17-41)7-10-40)34-18-35-29(23)37-27-13-22(38-39-27)14-28(42)36-21-5-2-4-20(12-21)30(31,32)33/h2,4-5,12-13,15-16,18-19,41H,3,6-11,14,17H2,1H3,(H,36,42)(H2,34,35,37,38,39)
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510 -8.58n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26280
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34N8O6/c1-42-25-15-23-24(16-26(25)43-11-3-8-36-9-6-19(17-38)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(12-20)37(40)41/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)
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890 -8.25n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26273
PNG
(N-(2-fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-21-24(16-26(25)41-12-4-9-37-10-7-19(17-38)8-11-37)31-18-32-29(21)34-27-13-20(35-36-27)14-28(39)33-23-6-3-2-5-22(23)30/h2-3,5-6,13,15-16,18-19,38H,4,7-12,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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1.40E+3 -7.98n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26272
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H35N7O4/c1-39-25-16-23-24(17-26(25)40-13-5-10-36-11-8-20(18-37)9-12-36)30-19-31-29(23)33-27-14-22(34-35-27)15-28(38)32-21-6-3-2-4-7-21/h2-4,6-7,14,16-17,19-20,37H,5,8-13,15,18H2,1H3,(H,32,38)(H2,30,31,33,34,35)
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1.60E+3 -7.90n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26282
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
Show InChI InChI=1S/C30H37N7O5/c1-40-23-6-3-5-21(13-23)33-29(39)15-22-14-28(36-35-22)34-30-24-16-26(41-2)27(17-25(24)31-19-32-30)42-12-4-9-37-10-7-20(18-38)8-11-37/h3,5-6,13-14,16-17,19-20,38H,4,7-12,15,18H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)
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1.90E+3 -7.80n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26275
PNG
(N-(4-fluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4ccc(F)cc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-12-2-9-37-10-7-19(17-38)8-11-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-3-20(30)4-6-21/h3-6,13,15-16,18-19,38H,2,7-12,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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2.00E+3 -7.77n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26279
PNG
(N-(3-cyanophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)pi...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C30H34N8O4/c1-41-26-15-24-25(16-27(26)42-11-3-8-38-9-6-20(18-39)7-10-38)32-19-33-30(24)35-28-13-23(36-37-28)14-29(40)34-22-5-2-4-21(12-22)17-31/h2,4-5,12-13,15-16,19-20,39H,3,6-11,14,18H2,1H3,(H,34,40)(H2,32,33,35,36,37)
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2.60E+3 -7.61n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26281
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(O)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H35N7O5/c1-40-25-15-23-24(16-26(25)41-11-3-8-36-9-6-19(17-37)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(38)12-20/h2,4-5,12-13,15-16,18-19,37-38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)
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4.00E+3 -7.36n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26274
PNG
(CHEMBL216769 | N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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n/an/a 450n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26274
PNG
(CHEMBL216769 | N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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n/an/a 2n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26274
PNG
(CHEMBL216769 | N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)
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n/an/a 680n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human SW620 cells assessed as inhibition of histone H3 phosphorylation


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair