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PubMed code 19402633

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 1n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM31837
PNG
(2,4-Bisanilinopyrimidine, 10 | Aurora Inhibitor, 3...)
Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)
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n/an/a 3.40n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31836
PNG
(2,4-Bisanilinopyrimidine, 9)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C31H29ClFN7O3/c1-20(41)39-14-16-40(17-15-39)28(42)18-21-6-10-24(11-7-21)36-31-34-19-26(33)29(38-31)35-23-12-8-22(9-13-23)30(43)37-27-5-3-2-4-25(27)32/h2-13,19H,14-18H2,1H3,(H,37,43)(H2,34,35,36,38)
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n/an/a 4.30n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM31833
PNG
(2,4-Bisanilinopyrimidine, 5)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1
Show InChI InChI=1S/C23H17ClFN5O2/c24-19-4-2-1-3-18(19)22(32)28-15-7-5-14(6-8-15)27-21-20(25)13-26-23(30-21)29-16-9-11-17(31)12-10-16/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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n/an/a 6n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM31858
PNG
(2,4-Bisanilinopyrimidine, 23)
Show SMILES Oc1ccc(Nc2ncc(Cl)c(Nc3ccc(O)cc3)n2)cc1
Show InChI InChI=1S/C16H13ClN4O2/c17-14-9-18-16(20-11-3-7-13(23)8-4-11)21-15(14)19-10-1-5-12(22)6-2-10/h1-9,22-23H,(H2,18,19,20,21)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31842
PNG
(2,4-Bisanilinopyrimidine, 49)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3F)n2)cc1
Show InChI InChI=1S/C23H17F2N5O2/c24-18-3-1-2-4-20(18)29-22(32)14-5-7-15(8-6-14)27-21-19(25)13-26-23(30-21)28-16-9-11-17(31)12-10-16/h1-13,31H,(H,29,32)(H2,26,27,28,30)
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n/an/a 9n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 9.30n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31834
PNG
(2,4-Bisanilinopyrimidine, 13)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C23H17ClFN5O2/c24-18-3-1-2-4-20(18)29-22(32)14-5-7-15(8-6-14)27-21-19(25)13-26-23(30-21)28-16-9-11-17(31)12-10-16/h1-13,31H,(H,29,32)(H2,26,27,28,30)
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n/an/a 10n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31841
PNG
(2,4-Bisanilinopyrimidine, 48)
Show SMILES Oc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
Show InChI InChI=1S/C23H18FN5O3/c24-20-13-25-23(28-17-7-11-19(31)12-8-17)29-21(20)26-15-3-1-14(2-4-15)22(32)27-16-5-9-18(30)10-6-16/h1-13,30-31H,(H,27,32)(H2,25,26,28,29)
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n/an/a 13n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM31848
PNG
(2,4-Bisanilinopyrimidine, 55)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1
Show InChI InChI=1S/C23H17F2N5O2/c24-19-4-2-1-3-18(19)22(32)28-15-7-5-14(6-8-15)27-21-20(25)13-26-23(30-21)29-16-9-11-17(31)12-10-16/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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n/an/a 14n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31859
PNG
(2,4-Bisanilinopyrimidine, 24)
Show SMILES Oc1ccc(Nc2ncc(c(Nc3ccc(O)cc3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)14-9-21-16(23-11-3-7-13(26)8-4-11)24-15(14)22-10-1-5-12(25)6-2-10/h1-9,25-26H,(H2,21,22,23,24)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31876
PNG
(2,4-Bisanilinopyrimidine, 42)
Show SMILES COc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
Show InChI InChI=1S/C24H20FN5O3/c1-33-20-12-8-17(9-13-20)28-23(32)15-2-4-16(5-3-15)27-22-21(25)14-26-24(30-22)29-18-6-10-19(31)11-7-18/h2-14,31H,1H3,(H,28,32)(H2,26,27,29,30)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31847
PNG
(2,4-Bisanilinopyrimidine, 54)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1
Show InChI InChI=1S/C23H18FN5O2/c24-20-14-25-23(28-18-10-12-19(30)13-11-18)29-21(20)26-16-6-8-17(9-7-16)27-22(31)15-4-2-1-3-5-15/h1-14,30H,(H,27,31)(H2,25,26,28,29)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31873
PNG
(2,4-Bisanilinopyrimidine, 39)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C23H18FN5O2/c24-20-14-25-23(28-18-10-12-19(30)13-11-18)29-21(20)26-17-8-6-15(7-9-17)22(31)27-16-4-2-1-3-5-16/h1-14,30H,(H,27,31)(H2,25,26,28,29)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31840
PNG
(2,4-Bisanilinopyrimidine, 47)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(O)c3)n2)cc1
Show InChI InChI=1S/C23H18FN5O3/c24-20-13-25-23(28-16-8-10-18(30)11-9-16)29-21(20)26-15-6-4-14(5-7-15)22(32)27-17-2-1-3-19(31)12-17/h1-13,30-31H,(H,27,32)(H2,25,26,28,29)
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n/an/a 19n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31877
PNG
(2,4-Bisanilinopyrimidine, 43)
Show SMILES Cc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C24H20FN5O2/c1-15-4-2-3-5-21(15)29-23(32)16-6-8-17(9-7-16)27-22-20(25)14-26-24(30-22)28-18-10-12-19(31)13-11-18/h2-14,31H,1H3,(H,29,32)(H2,26,27,28,30)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31863
PNG
(2,4-Bisanilinopyrimidine, 29)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
Show InChI InChI=1S/C17H15FN4O2/c1-24-15-5-3-2-4-14(15)21-16-13(18)10-19-17(22-16)20-11-6-8-12(23)9-7-11/h2-10,23H,1H3,(H2,19,20,21,22)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31860
PNG
(2,4-Bisanilinopyrimidine, 25)
Show SMILES Oc1ccc(Nc2ncc(C#N)c(Nc3ccc(O)cc3)n2)cc1
Show InChI InChI=1S/C17H13N5O2/c18-9-11-10-19-17(21-13-3-7-15(24)8-4-13)22-16(11)20-12-1-5-14(23)6-2-12/h1-8,10,23-24H,(H2,19,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31844
PNG
(2,4-Bisanilinopyrimidine, 51)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C23H17F2N5O2/c24-15-3-7-17(8-4-15)28-22(32)14-1-5-16(6-2-14)27-21-20(25)13-26-23(30-21)29-18-9-11-19(31)12-10-18/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31839
PNG
(2,4-Bisanilinopyrimidine, 46)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3O)n2)cc1
Show InChI InChI=1S/C23H18FN5O3/c24-18-13-25-23(27-16-9-11-17(30)12-10-16)29-21(18)26-15-7-5-14(6-8-15)22(32)28-19-3-1-2-4-20(19)31/h1-13,30-31H,(H,28,32)(H2,25,26,27,29)
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n/an/a 28n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31853
PNG
(2,4-Bisanilinopyrimidine, 18)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(O)cc3)n2)cc1
Show InChI InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-3-7-13(23)8-4-11)21-15(14)19-10-1-5-12(22)6-2-10/h1-9,22-23H,(H2,18,19,20,21)
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n/an/a 30n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31861
PNG
(2,4-Bisanilinopyrimidine, 26)
Show SMILES Cc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C17H16N4O2/c1-11-10-18-17(20-13-4-8-15(23)9-5-13)21-16(11)19-12-2-6-14(22)7-3-12/h2-10,22-23H,1H3,(H2,18,19,20,21)
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n/an/a 34n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31875
PNG
(2,4-Bisanilinopyrimidine, 41)
Show SMILES COc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
Show InChI InChI=1S/C24H20FN5O3/c1-33-20-4-2-3-18(13-20)28-23(32)15-5-7-16(8-6-15)27-22-21(25)14-26-24(30-22)29-17-9-11-19(31)12-10-17/h2-14,31H,1H3,(H,28,32)(H2,26,27,29,30)
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n/an/a 36n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31871
PNG
(2,4-Bisanilinopyrimidine, 37)
Show SMILES CCCNC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C20H20FN5O2/c1-2-11-22-19(28)13-3-5-14(6-4-13)24-18-17(21)12-23-20(26-18)25-15-7-9-16(27)10-8-15/h3-10,12,27H,2,11H2,1H3,(H,22,28)(H2,23,24,25,26)
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n/an/a 49n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31878
PNG
(2,4-Bisanilinopyrimidine, 44)
Show SMILES Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
Show InChI InChI=1S/C24H20FN5O2/c1-15-3-2-4-19(13-15)28-23(32)16-5-7-17(8-6-16)27-22-21(25)14-26-24(30-22)29-18-9-11-20(31)12-10-18/h2-14,31H,1H3,(H,28,32)(H2,26,27,29,30)
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n/an/a 50n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM31872
PNG
(2,4-Bisanilinopyrimidine, 38)
Show SMILES CC(C)NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C20H20FN5O2/c1-12(2)23-19(28)13-3-5-14(6-4-13)24-18-17(21)11-22-20(26-18)25-15-7-9-16(27)10-8-15/h3-12,27H,1-2H3,(H,23,28)(H2,22,24,25,26)
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n/an/a 51n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31835
PNG
(2,4-Bisanilinopyrimidine, 14)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)NC3CC3)n2)cc1
Show InChI InChI=1S/C20H18FN5O2/c21-17-11-22-20(25-15-7-9-16(27)10-8-15)26-18(17)23-13-3-1-12(2-4-13)19(28)24-14-5-6-14/h1-4,7-11,14,27H,5-6H2,(H,24,28)(H2,22,23,25,26)
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n/an/a 54n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31843
PNG
(2,4-Bisanilinopyrimidine, 50)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(F)c3)n2)cc1
Show InChI InChI=1S/C23H17F2N5O2/c24-15-2-1-3-18(12-15)28-22(32)14-4-6-16(7-5-14)27-21-20(25)13-26-23(30-21)29-17-8-10-19(31)11-9-17/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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n/an/a 59n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM31846
PNG
(2,4-Bisanilinopyrimidine, 53)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C23H17ClFN5O2/c24-15-3-7-17(8-4-15)28-22(32)14-1-5-16(6-2-14)27-21-20(25)13-26-23(30-21)29-18-9-11-19(31)12-10-18/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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n/an/a 64n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31866
PNG
(2,4-Bisanilinopyrimidine, 32)
Show SMILES Cc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
Show InChI InChI=1S/C17H15FN4O/c1-11-4-2-3-5-15(11)21-16-14(18)10-19-17(22-16)20-12-6-8-13(23)9-7-12/h2-10,23H,1H3,(H2,19,20,21,22)
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n/an/a 67n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31868
PNG
(2,4-Bisanilinopyrimidine, 34)
Show SMILES Cc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C17H15FN4O/c1-11-2-4-12(5-3-11)20-16-15(18)10-19-17(22-16)21-13-6-8-14(23)9-7-13/h2-10,23H,1H3,(H2,19,20,21,22)
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n/an/a 75n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31874
PNG
(2,4-Bisanilinopyrimidine, 40)
Show SMILES COc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C24H20FN5O3/c1-33-21-5-3-2-4-20(21)29-23(32)15-6-8-16(9-7-15)27-22-19(25)14-26-24(30-22)28-17-10-12-18(31)13-11-17/h2-14,31H,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 78n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31865
PNG
(2,4-Bisanilinopyrimidine, 31)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C17H15FN4O2/c1-24-14-8-4-11(5-9-14)20-16-15(18)10-19-17(22-16)21-12-2-6-13(23)7-3-12/h2-10,23H,1H3,(H2,19,20,21,22)
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n/an/a 78n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31851
PNG
(2,4-Bisanilinopyrimidine, 16)
Show SMILES Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1
Show InChI InChI=1S/C16H13FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,21)
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n/an/a 80n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31850
PNG
(2,4-Bisanilinopyrimidine, 12)
Show SMILES COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1
Show InChI InChI=1S/C18H17FN4O2/c1-24-14-7-3-12(4-8-14)21-17-16(19)11-20-18(23-17)22-13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22,23)
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n/an/a 130n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31845
PNG
(2,4-Bisanilinopyrimidine, 52)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C23H17ClFN5O2/c24-15-2-1-3-18(12-15)28-22(32)14-4-6-16(7-5-14)27-21-20(25)13-26-23(30-21)29-17-8-10-19(31)11-9-17/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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n/an/a 140n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31862
PNG
(2,4-Bisanilinopyrimidine, 27)
Show SMILES CCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C18H18N4O2/c1-2-12-11-19-18(21-14-5-9-16(24)10-6-14)22-17(12)20-13-3-7-15(23)8-4-13/h3-11,23-24H,2H2,1H3,(H2,19,20,21,22)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31869
PNG
(2,4-Bisanilinopyrimidine, 35)
Show SMILES NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C17H14FN5O2/c18-14-9-20-17(22-12-5-7-13(24)8-6-12)23-16(14)21-11-3-1-10(2-4-11)15(19)25/h1-9,24H,(H2,19,25)(H2,20,21,22,23)
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n/an/a 160n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31867
PNG
(2,4-Bisanilinopyrimidine, 33)
Show SMILES Cc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
Show InChI InChI=1S/C17H15FN4O/c1-11-3-2-4-13(9-11)20-16-15(18)10-19-17(22-16)21-12-5-7-14(23)8-6-12/h2-10,23H,1H3,(H2,19,20,21,22)
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n/an/a 180n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM31838
PNG
(2,4-Bisanilinopyrimidine, 45)
Show SMILES Cc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
Show InChI InChI=1S/C24H20FN5O2/c1-15-2-6-18(7-3-15)28-23(32)16-4-8-17(9-5-16)27-22-21(25)14-26-24(30-22)29-19-10-12-20(31)13-11-19/h2-14,31H,1H3,(H,28,32)(H2,26,27,29,30)
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n/an/a 180n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM31852
PNG
(2,4-Bisanilinopyrimidine, 17)
Show SMILES Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C16H11F3N4/c17-10-1-5-12(6-2-10)21-15-14(19)9-20-16(23-15)22-13-7-3-11(18)4-8-13/h1-9H,(H2,20,21,22,23)
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Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31864
PNG
(2,4-Bisanilinopyrimidine, 30)
Show SMILES COc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
Show InChI InChI=1S/C17H15FN4O2/c1-24-14-4-2-3-12(9-14)20-16-15(18)10-19-17(22-16)21-11-5-7-13(23)8-6-11/h2-10,23H,1H3,(H2,19,20,21,22)
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Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31857
PNG
(2,4-Bisanilinopyrimidine, 22)
Show SMILES Oc1ccc(Nc2ccnc(Nc3ccc(O)cc3)n2)cc1
Show InChI InChI=1S/C16H14N4O2/c21-13-5-1-11(2-6-13)18-15-9-10-17-16(20-15)19-12-3-7-14(22)8-4-12/h1-10,21-22H,(H2,17,18,19,20)
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Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31870
PNG
(2,4-Bisanilinopyrimidine, 36)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
Show InChI InChI=1S/C19H18FN5O2/c1-25(2)18(27)12-3-5-13(6-4-12)22-17-16(20)11-21-19(24-17)23-14-7-9-15(26)10-8-14/h3-11,26H,1-2H3,(H2,21,22,23,24)
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Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31849
PNG
(2,4-Bisanilinopyrimidine, 11)
Show SMILES Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C18H17FN4/c1-12-5-3-7-14(9-12)21-17-16(19)11-20-18(23-17)22-15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H2,20,21,22,23)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))
BDBM31833
PNG
(2,4-Bisanilinopyrimidine, 5)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1
Show InChI InChI=1S/C23H17ClFN5O2/c24-19-4-2-1-3-18(19)22(32)28-15-7-5-14(6-8-15)27-21-20(25)13-26-23(30-21)29-16-9-11-17(31)12-10-16/h1-13,31H,(H,28,32)(H2,26,27,29,30)
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n/an/a 1.40E+3n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM31834
PNG
(2,4-Bisanilinopyrimidine, 13)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C23H17ClFN5O2/c24-18-3-1-2-4-20(18)29-22(32)14-5-7-15(8-6-14)27-21-19(25)13-26-23(30-21)28-16-9-11-17(31)12-10-16/h1-13,31H,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.90E+3n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM31837
PNG
(2,4-Bisanilinopyrimidine, 10 | Aurora Inhibitor, 3...)
Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM31836
PNG
(2,4-Bisanilinopyrimidine, 9)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C31H29ClFN7O3/c1-20(41)39-14-16-40(17-15-39)28(42)18-21-6-10-24(11-7-21)36-31-34-19-26(33)29(38-31)35-23-12-8-22(9-13-23)30(43)37-27-5-3-2-4-25(27)32/h2-13,19H,14-18H2,1H3,(H,37,43)(H2,34,35,36,38)
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n/an/a 3.70E+3n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM31835
PNG
(2,4-Bisanilinopyrimidine, 14)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)NC3CC3)n2)cc1
Show InChI InChI=1S/C20H18FN5O2/c21-17-11-22-20(25-15-7-9-16(27)10-8-15)26-18(17)23-13-3-1-12(2-4-13)19(28)24-14-5-6-14/h1-4,7-11,14,27H,5-6H2,(H,24,28)(H2,22,23,25,26)
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n/an/a 3.80E+3n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31855
PNG
(2,4-Bisanilinopyrimidine, 20)
Show SMILES Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H16N4O2/c1-11-10-16(19-12-2-6-14(22)7-3-12)21-17(18-11)20-13-4-8-15(23)9-5-13/h2-10,22-23H,1H3,(H2,18,19,20,21)
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n/an/a>1.70E+4n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31856
PNG
(2,4-Bisanilinopyrimidine, 21)
Show SMILES Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1C
Show InChI InChI=1S/C18H18N4O2/c1-11-12(2)19-18(21-14-5-9-16(24)10-6-14)22-17(11)20-13-3-7-15(23)8-4-13/h3-10,23-24H,1-2H3,(H2,19,20,21,22)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31854
PNG
(2,4-Bisanilinopyrimidine, 19)
Show SMILES Oc1ccc(Nc2cc(Cl)nc(Nc3ccc(O)cc3)n2)cc1
Show InChI InChI=1S/C16H13ClN4O2/c17-14-9-15(18-10-1-5-12(22)6-2-10)21-16(20-14)19-11-3-7-13(23)8-4-11/h1-9,22-23H,(H2,18,19,20,21)
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Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%