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Patent code US9938268

Compile Data Set for Download or QSAR
Found 34 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))
BDBM387206
PNG
(US9938268, Compound 34)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5n[nH]cc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H12F4N6O2/c24-11-1-6-14(16(9-11)23(25,26)27)21(34)31-13-4-2-12(3-5-13)30-17-7-8-28-20-18(17)15-10-29-33-19(15)22(35)32-20/h1-10,30H,(H,31,34)
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Merck Patent GmbH

US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387230
PNG
(US9938268, Compound 52)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)c(F)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H19F5N4O2/c27-13-5-7-17(18(11-13)26(29,30)31)25(37)33-14-6-8-20(19(28)12-14)34-21-9-10-32-23-22(21)15-3-1-2-4-16(15)24(36)35-23/h5-12H,1-4H2,(H,33,37)(H2,32,34,35,36)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387215
PNG
(US9938268, Compound 13)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C25H20Cl2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h3,6-13H,1-2,4-5H2,(H,30,33)(H2,28,29,31,32)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387234
PNG
(US9938268, Compound 56)
Show SMILES Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)c(F)c2)c1F
Show InChI InChI=1S/C25H19F3N4O2/c26-17-7-3-6-16(22(17)28)25(34)30-13-8-9-19(18(27)12-13)31-20-10-11-29-23-21(20)14-4-1-2-5-15(14)24(33)32-23/h3,6-12H,1-2,4-5H2,(H,30,34)(H2,29,31,32,33)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387232
PNG
(US9938268, Compound 54)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H19F5N4O2/c27-13-5-7-17(18(11-13)26(29,30)31)25(37)34-20-8-6-14(12-19(20)28)33-21-9-10-32-23-22(21)15-3-1-2-4-16(15)24(36)35-23/h5-12H,1-4H2,(H,34,37)(H2,32,33,35,36)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387233
PNG
(US9938268, Compound 55)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)c(F)c1
Show InChI InChI=1S/C25H19F3N4O2/c26-17-7-5-13(11-18(17)27)24(33)30-14-6-8-20(19(28)12-14)31-21-9-10-29-23-22(21)15-3-1-2-4-16(15)25(34)32-23/h5-12H,1-4H2,(H,30,33)(H2,29,31,32,34)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387220
PNG
(US9938268, Compound 7)
Show SMILES Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2)c1F
Show InChI InChI=1S/C25H20F2N4O2/c26-19-7-3-6-18(22(19)27)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h3,6-13H,1-2,4-5H2,(H,30,33)(H2,28,29,31,32)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387217
PNG
(US9938268, Compound 10)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C25H21FN4O2/c26-16-7-5-15(6-8-16)24(31)29-18-11-9-17(10-12-18)28-21-13-14-27-23-22(21)19-3-1-2-4-20(19)25(32)30-23/h5-14H,1-4H2,(H,29,31)(H2,27,28,30,32)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387216
PNG
(US9938268, Compound 11)
Show SMILES Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C26H20F4N4O2/c27-22-18(6-3-7-19(22)26(28,29)30)25(36)33-15-10-8-14(9-11-15)32-20-12-13-31-23-21(20)16-4-1-2-5-17(16)24(35)34-23/h3,6-13H,1-2,4-5H2,(H,33,36)(H2,31,32,34,35)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387219
PNG
(US9938268, Compound 8)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C25H20F2N4O2/c26-19-10-5-14(13-20(19)27)24(32)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)25(33)31-23/h5-13H,1-4H2,(H,30,32)(H2,28,29,31,33)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387223
PNG
(US9938268, Compound 6)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h5-13H,1-4H2,(H,33,36)(H2,31,32,34,35)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387218
PNG
(US9938268, Compound 9)
Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C25H20F2N4O2/c26-15-11-14(12-16(27)13-15)24(32)30-18-7-5-17(6-8-18)29-21-9-10-28-23-22(21)19-3-1-2-4-20(19)25(33)31-23/h5-13H,1-4H2,(H,30,32)(H2,28,29,31,33)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387231
PNG
(US9938268, Compound 53)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)c(F)c1
Show InChI InChI=1S/C25H20F2N4O2/c26-15-5-3-4-14(12-15)24(32)29-16-8-9-20(19(27)13-16)30-21-10-11-28-23-22(21)17-6-1-2-7-18(17)25(33)31-23/h3-5,8-13H,1-2,6-7H2,(H,29,32)(H2,28,30,31,33)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387207
PNG
(US9938268, Compound 33)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4n[nH]cc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C22H14N6O2/c29-21(13-4-2-1-3-5-13)26-15-8-6-14(7-9-15)25-17-10-11-23-20-18(17)16-12-24-28-19(16)22(30)27-20/h1-12,25H,(H,26,29)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387225
PNG
(US9938268, Compound 36)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C23H16N4O3/c28-22(14-4-2-1-3-5-14)26-16-8-6-15(7-9-16)25-18-10-12-24-21-19(18)20-17(11-13-30-20)23(29)27-21/h1-13H,(H,26,28)(H2,24,25,27,29)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387214
PNG
(US9938268, Compound 12)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C25H20Cl2N4O2/c26-15-11-14(12-16(27)13-15)24(32)30-18-7-5-17(6-8-18)29-21-9-10-28-23-22(21)19-3-1-2-4-20(19)25(33)31-23/h5-13H,1-4H2,(H,30,32)(H2,28,29,31,33)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387224
PNG
(US9938268, Compound 5)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H22N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-3,6-7,10-15H,4-5,8-9H2,(H,28,30)(H2,26,27,29,31)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387210
PNG
(US9938268, Compound 26)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CNCCc4c23)cc1
Show InChI InChI=1S/C24H19F2N5O2/c25-18-6-1-13(11-19(18)26)23(32)30-15-4-2-14(3-5-15)29-20-8-10-28-22-21(20)16-7-9-27-12-17(16)24(33)31-22/h1-6,8,10-11,27H,7,9,12H2,(H,30,32)(H2,28,29,31,33)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387213
PNG
(US9938268, Compound 24)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5CNCCc5c34)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H19F4N5O2/c26-13-1-6-17(19(11-13)25(27,28)29)23(35)33-15-4-2-14(3-5-15)32-20-8-10-31-22-21(20)16-7-9-30-12-18(16)24(36)34-22/h1-6,8,10-11,30H,7,9,12H2,(H,33,35)(H2,31,32,34,36)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387221
PNG
(US9938268, Compound 30)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CN(Cc5ccccc5)CCc4c23)cc1
Show InChI InChI=1S/C32H25F4N5O2/c33-26-11-6-20(16-25(26)32(34,35)36)30(42)39-22-9-7-21(8-10-22)38-27-12-14-37-29-28(27)23-13-15-41(18-24(23)31(43)40-29)17-19-4-2-1-3-5-19/h1-12,14,16H,13,15,17-18H2,(H,39,42)(H2,37,38,40,43)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387228
PNG
(US9938268, Compound 40)
Show SMILES COc1cccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)c1
Show InChI InChI=1S/C17H13N3O3/c1-22-11-4-2-3-10(9-11)19-13-5-7-18-16-14(13)15-12(6-8-23-15)17(21)20-16/h2-9H,1H3,(H2,18,19,20,21)
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Merck Patent GmbH

US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387211
PNG
(US9938268, Compound 27)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CNCCc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C24H21N5O2/c30-23(15-4-2-1-3-5-15)28-17-8-6-16(7-9-17)27-20-11-13-26-22-21(20)18-10-12-25-14-19(18)24(31)29-22/h1-9,11,13,25H,10,12,14H2,(H,28,30)(H2,26,27,29,31)
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Merck Patent GmbH

US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387209
PNG
(US9938268, Compound 25)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4CNCCc4c23)cc1
Show InChI InChI=1S/C24H20FN5O2/c25-15-3-1-14(2-4-15)23(31)29-17-7-5-16(6-8-17)28-20-10-12-27-22-21(20)18-9-11-26-13-19(18)24(32)30-22/h1-8,10,12,26H,9,11,13H2,(H,29,31)(H2,27,28,30,32)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387195
PNG
(US9938268, Compound 51)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1)C(C)(C)C
Show InChI InChI=1S/C33H34N6O3/c1-20-8-7-9-22(18-20)39-28(19-27(38-39)33(2,3)4)36-32(41)35-21-12-14-23(15-13-21)42-26-16-17-34-30-29(26)24-10-5-6-11-25(24)31(40)37-30/h7-9,12-19H,5-6,10-11H2,1-4H3,(H,34,37,40)(H2,35,36,41)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387205
PNG
(US9938268, Compound 31)
Show SMILES Clc1ccnc2[nH]c(=O)c3nn(cc3c12)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H19ClN4O/c29-23-16-17-30-26-24(23)22-18-33(32-25(22)27(34)31-26)28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H,30,31,34)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387229
PNG
(US9938268, Compound 38)
Show SMILES COc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1
Show InChI InChI=1S/C17H13N3O3/c1-22-11-4-2-10(3-5-11)19-13-6-8-18-16-14(13)15-12(7-9-23-15)17(21)20-16/h2-9H,1H3,(H2,18,19,20,21)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387212
PNG
(US9938268, Compound 28)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CCNCc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C24H21N5O2/c30-23(15-4-2-1-3-5-15)28-17-8-6-16(7-9-17)27-20-11-13-26-22-21(20)19-14-25-12-10-18(19)24(31)29-22/h1-9,11,13,25H,10,12,14H2,(H,28,30)(H2,26,27,29,31)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387204
PNG
(US9938268, Compound 46)
Show SMILES Nc1ccc(Oc2ccnc3[nH]c(=O)c4CCCCc4c23)cc1
Show InChI InChI=1S/C18H17N3O2/c19-11-5-7-12(8-6-11)23-15-9-10-20-17-16(15)13-3-1-2-4-14(13)18(22)21-17/h5-10H,1-4,19H2,(H,20,21,22)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387197
PNG
(US9938268, Compound 49)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)N2CCOc3cc(Oc4ccnc5[nH]c(=O)c6CCCCc6c45)ccc23)c1=O
Show InChI InChI=1S/C32H25FN4O5/c33-19-7-9-20(10-8-19)36-15-3-6-24(31(36)39)32(40)37-16-17-41-27-18-21(11-12-25(27)37)42-26-13-14-34-29-28(26)22-4-1-2-5-23(22)30(38)35-29/h3,6-15,18H,1-2,4-5,16-17H2,(H,34,35,38)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387227
PNG
(US9938268, Compound 39)
Show SMILES Clc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1
Show InChI InChI=1S/C16H10ClN3O2/c17-9-1-3-10(4-2-9)19-12-5-7-18-15-13(12)14-11(6-8-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387222
PNG
(US9938268, Compound 29)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4CN(Cc5ccccc5)CCc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C31H27N5O2/c37-30(22-9-5-2-6-10-22)34-24-13-11-23(12-14-24)33-27-15-17-32-29-28(27)25-16-18-36(20-26(25)31(38)35-29)19-21-7-3-1-4-8-21/h1-15,17H,16,18-20H2,(H,34,37)(H2,32,33,35,38)
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Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387203
PNG
(US9938268, Compound 47)
Show SMILES O=c1[nH]c2nccc(Oc3ccc4NCCOc4c3)c2c2CCCCc12
Show InChI InChI=1S/C20H19N3O3/c24-20-14-4-2-1-3-13(14)18-16(7-8-22-19(18)23-20)26-12-5-6-15-17(11-12)25-10-9-21-15/h5-8,11,21H,1-4,9-10H2,(H,22,23,24)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387226
PNG
(US9938268, Compound 37)
Show SMILES O=c1[nH]c2nccc(Nc3ccccc3)c2c2occc12
Show InChI InChI=1S/C16H11N3O2/c20-16-11-7-9-21-14(11)13-12(6-8-17-15(13)19-16)18-10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM387198
PNG
(US9938268, Compound 48)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)c5CCCCc5c34)cc2)c1=O
Show InChI InChI=1S/C30H23FN4O4/c31-18-7-11-20(12-8-18)35-17-3-6-24(30(35)38)29(37)33-19-9-13-21(14-10-19)39-25-15-16-32-27-26(25)22-4-1-2-5-23(22)28(36)34-27/h3,6-17H,1-2,4-5H2,(H,33,37)(H,32,34,36)
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US Patent


Assay Description
Assays are derived from other literature.


US Patent US9938268 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%