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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'AURB (aa 1-341)'   
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
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311138
PNG
(example 6.09 on page 559 of WO15017610)
Show SMILES C[C@@H](Oc1cc(cn2ncc(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H27N5O2/c1-13-8-23-25-11-16(17-10-24-26(12-17)21(3,4)5)6-18(20(13)25)28-14(2)15-7-19(27)22-9-15/h6,8,10-12,14-15H,7,9H2,1-5H3,(H,22,27)/t14-,15-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311136
PNG
(example 5.20 on page 506 of WO15017610)
Show SMILES C[C@@H](Oc1nc(cn2ncc(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C20H26N6O2/c1-12-7-22-25-11-16(15-9-23-26(10-15)20(3,4)5)24-19(18(12)25)28-13(2)14-6-17(27)21-8-14/h7,9-11,13-14H,6,8H2,1-5H3,(H,21,27)/t13-,14-/m1/s1
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n/an/a 162n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311139
PNG
(example 3B.22 on page 219 of WO15017610)
Show SMILES C[C@@H](Oc1cc(cc2ncn(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H27N5O2/c1-13(15-8-19(27)22-9-15)28-18-7-14(6-17-20(18)25(5)12-23-17)16-10-24-26(11-16)21(2,3)4/h6-7,10-13,15H,8-9H2,1-5H3,(H,22,27)/t13-,15-/m1/s1
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n/an/a 771n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311137
PNG
(example 3A.02, on page 196 of WO15017610)
Show SMILES C[C@@H](Oc1nc(cc2ncn(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C20H26N6O2/c1-12(13-6-17(27)21-8-13)28-19-18-16(22-11-25(18)5)7-15(24-19)14-9-23-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/m1/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311135
PNG
(US10155751, Example 22)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CCC(F)(F)C1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C23H27F2N5O2/c1-13-22-19(28-29(13)3)6-15(7-20(22)32-14(2)16-8-21(31)26-10-16)17-11-27-30(12-17)18-4-5-23(24,25)9-18/h6-7,11-12,14,16,18H,4-5,8-10H2,1-3H3,(H,26,31)/t14-,16-,18?/m1/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311134
PNG
(US10155751, Example 21)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C22H27N5O2/c1-13-22-19(25-26(13)3)7-15(17-11-24-27(12-17)18-5-4-6-18)8-20(22)29-14(2)16-9-21(28)23-10-16/h7-8,11-12,14,16,18H,4-6,9-10H2,1-3H3,(H,23,28)/t14-,16-/m1/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311131
PNG
(US10155751, Example 18)
Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2c(C)n(C)nc2c1
Show InChI InChI=1S/C21H27N5O2/c1-12(2)26-11-17(10-23-26)15-6-18-21(13(3)25(5)24-18)19(7-15)28-14(4)16-8-20(27)22-9-16/h6-7,10-12,14,16H,8-9H2,1-5H3,(H,22,27)/t14-,16-/m1/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311121
PNG
(US10155751, Example 8)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(CC2CC2)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C22H27N5O2/c1-13-22-19(25-26(13)3)6-16(18-10-24-27(12-18)11-15-4-5-15)7-20(22)29-14(2)17-8-21(28)23-9-17/h6-7,10,12,14-15,17H,4-5,8-9,11H2,1-3H3,(H,23,28)/t14-,17-/m1/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311122
PNG
(US10155751, Example 9)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)[C@@H]1CCOC(C)(C)C1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C25H33N5O3/c1-15-24-21(28-29(15)5)8-17(9-22(24)33-16(2)18-10-23(31)26-12-18)19-13-27-30(14-19)20-6-7-32-25(3,4)11-20/h8-9,13-14,16,18,20H,6-7,10-12H2,1-5H3,(H,26,31)/t16-,18-,20-/m1/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311132
PNG
(US10155751, Example 19)
Show SMILES CC(C)Cn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2c(C)n(C)nc2c1
Show InChI InChI=1S/C22H29N5O2/c1-13(2)11-27-12-18(10-24-27)16-6-19-22(14(3)26(5)25-19)20(7-16)29-15(4)17-8-21(28)23-9-17/h6-7,10,12-13,15,17H,8-9,11H2,1-5H3,(H,23,28)/t15-,17-/m1/s1
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n/an/a 2.38E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311120
PNG
(US10155751, Example 7)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CCC(F)(F)C1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C22H24F3N5O2/c1-12(14-7-19(31)26-9-14)32-18-6-13(5-17-20(18)21(23)29(2)28-17)15-10-27-30(11-15)16-3-4-22(24,25)8-16/h5-6,10-12,14,16H,3-4,7-9H2,1-2H3,(H,26,31)/t12-,14-,16?/m1/s1
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n/an/a 2.62E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311125
PNG
(US10155751, Example 12)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C20H21F4N5O2/c1-11(13-7-17(30)25-8-13)31-16-6-12(5-15-18(16)19(21)28(2)27-15)14-9-26-29(10-14)4-3-20(22,23)24/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,25,30)/t11-,13-/m1/s1
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n/an/a 2.96E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311115
PNG
(US10155751, Example 2)
Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2c(F)n(C)nc2c1
Show InChI InChI=1S/C20H24FN5O2/c1-11(2)26-10-15(9-23-26)13-5-16-19(20(21)25(4)24-16)17(6-13)28-12(3)14-7-18(27)22-8-14/h5-6,9-12,14H,7-8H2,1-4H3,(H,22,27)/t12-,14-/m1/s1
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n/an/a 3.11E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311124
PNG
(US10155751, Example 11)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(CCF)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C20H24FN5O2/c1-12-20-17(24-25(12)3)6-14(16-10-23-26(11-16)5-4-21)7-18(20)28-13(2)15-8-19(27)22-9-15/h6-7,10-11,13,15H,4-5,8-9H2,1-3H3,(H,22,27)/t13-,15-/m1/s1
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n/an/a 3.12E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311116
PNG
(US10155751, Example 3)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)O1
Show InChI InChI=1S/C20H26N6O3/c1-11-17-15(24-25(11)6)7-14(13-8-22-26(10-13)20(3,4)5)23-18(17)28-12(2)16-9-21-19(27)29-16/h7-8,10,12,16H,9H2,1-6H3,(H,21,27)/t12-,16-/m1/s1
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n/an/a 3.15E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311123
PNG
(US10155751, Example 10)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)[C@H]1CO[C@@H]2CCCO[C@H]12)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C25H31N5O4/c1-14-24-19(28-29(14)3)7-16(8-22(24)34-15(2)17-9-23(31)26-10-17)18-11-27-30(12-18)20-13-33-21-5-4-6-32-25(20)21/h7-8,11-12,15,17,20-21,25H,4-6,9-10,13H2,1-3H3,(H,26,31)/t15-,17-,20+,21-,25-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311119
PNG
(US10155751, Example 6)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CC2CC2)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H24FN5O2/c1-12(15-7-19(28)23-8-15)29-18-6-14(5-17-20(18)21(22)26(2)25-17)16-9-24-27(11-16)10-13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3,(H,23,28)/t12-,15-/m1/s1
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n/an/a 3.41E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311114
PNG
(US10155751, Example 1)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H24FN5O2/c1-12(14-8-19(28)23-9-14)29-18-7-13(6-17-20(18)21(22)26(2)25-17)15-10-24-27(11-15)16-4-3-5-16/h6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H,23,28)/t12-,14-/m1/s1
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n/an/a 3.48E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311133
PNG
(US10155751, Example 20)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H25N5O2/c1-12-21-18(24-25(12)3)6-14(16-10-23-26(11-16)17-4-5-17)7-19(21)28-13(2)15-8-20(27)22-9-15/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3,(H,22,27)/t13-,15-/m1/s1
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n/an/a 3.48E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311126
PNG
(US10155751, Example 13)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C22H29N5O2/c1-13-21-18(25-26(13)6)7-15(17-11-24-27(12-17)22(3,4)5)8-19(21)29-14(2)16-9-20(28)23-10-16/h7-8,11-12,14,16H,9-10H2,1-6H3,(H,23,28)/t14-,16-/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311129
PNG
(US10155751, Example 16)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CC(C)(C)OC1(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C26H35N5O3/c1-15-24-20(29-30(15)7)8-17(9-21(24)33-16(2)18-10-23(32)27-12-18)19-13-28-31(14-19)22-11-25(3,4)34-26(22,5)6/h8-9,13-14,16,18,22H,10-12H2,1-7H3,(H,27,32)/t16-,18-,22?/m1/s1
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n/an/a 4.44E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311118
PNG
(US10155751, Example 5)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C20H22FN5O2/c1-11(13-7-18(27)22-8-13)28-17-6-12(5-16-19(17)20(21)25(2)24-16)14-9-23-26(10-14)15-3-4-15/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,27)/t11-,13-/m1/s1
PDB

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UniChem
US Patent
n/an/a 5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311140
PNG
(example 6.60 on page 587 of WO15017610)
Show SMILES C[C@@H](Oc1cc(cn2nc(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H27N5O2/c1-13-6-18-19(28-14(2)15-8-20(27)22-9-15)7-16(11-25(18)24-13)17-10-23-26(12-17)21(3,4)5/h6-7,10-12,14-15H,8-9H2,1-5H3,(H,22,27)/t14-,15-/m1/s1
PDB

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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311127
PNG
(US10155751, Example 14)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CC(C)(C)OC1(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C25H32FN5O3/c1-14(16-9-21(32)27-11-16)33-19-8-15(7-18-22(19)23(26)30(6)29-18)17-12-28-31(13-17)20-10-24(2,3)34-25(20,4)5/h7-8,12-14,16,20H,9-11H2,1-6H3,(H,27,32)/t14-,16-,20?/m1/s1
PDB

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UniChem
US Patent
n/an/a 5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311130
PNG
(US10155751, Example 17)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C#N)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C22H26N6O2/c1-13-21-18(26-27(13)5)6-15(17-10-25-28(11-17)22(3,4)12-23)7-19(21)30-14(2)16-8-20(29)24-9-16/h6-7,10-11,14,16H,8-9H2,1-5H3,(H,24,29)/t14-,16-/m1/s1
PDB

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US Patent
n/an/a 5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311128
PNG
(US10155751, Example 15)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)C1=CN[N](=C1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H29N6O2/c1-12-19-17(25-26(12)6)8-16(15-10-23-27(11-15)21(3,4)5)24-20(19)29-13(2)14-7-18(28)22-9-14/h8,10-11,13-14,23H,7,9H2,1-6H3,(H,22,28)/t13-,14-/m1/s1
PDB

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US Patent
n/an/a 5.06E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair
AURB (aa 1-341)


(Homo sapiens (human))
BDBM311117
PNG
(US10155751, Example 4)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)-c1c[nH]nc1C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H28N6O2/c1-11-18-16(26-27(11)6)8-15(14-10-23-25-19(14)21(3,4)5)24-20(18)29-12(2)13-7-17(28)22-9-13/h8,10,12-13H,7,9H2,1-6H3,(H,22,28)(H,23,25)/t12-,13-/m1/s1
PDB

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n/an/a 6.52E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...


US Patent US10155751 (2018)

More data for this
Ligand-Target Pair