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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with Target = 'Aurora B/INCENP'   
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 B/Incenp


(Homo sapiens (Human))
BDBM47224
PNG
(US9073917, 2-inventive)
Show SMILES CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C26H24N4O2/c1-2-18-25-17(14-27-18)23(24-21(28-25)11-6-12-22(24)31)15-7-5-8-16(13-15)32-26-29-19-9-3-4-10-20(19)30-26/h3-5,7-10,13-14,23,27-28H,2,6,11-12H2,1H3,(H,29,30)/t23-/s2
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n/an/a 1n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The effect of the compounds of the invention on the activity of the enzyme PDE3 was evaluated by the company CEREP (Le bois I'Evêque, 86600 Celle...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 1.10n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 1.5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167515
PNG
(US9073917, 12- comparative)
Show SMILES CCOC(=O)c1[nH]cc2[C@@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26-27H,2,5,8-9H2,1H3,(H,28,29)/t20-/s2
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n/an/a 3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167510
PNG
(US9073917, 7- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C28H28N4O2/c1-4-19-26-18(15-29-19)24(25-22(30-26)13-28(2,3)14-23(25)33)16-8-7-9-17(12-16)34-27-31-20-10-5-6-11-21(20)32-27/h5-12,15,24,29-30H,4,13-14H2,1-3H3,(H,31,32)
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n/an/a 4n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167506
PNG
(US9073917, 1-inventive)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C26H24N4O2/c1-2-18-25-17(14-27-18)23(24-21(28-25)11-6-12-22(24)31)15-7-5-8-16(13-15)32-26-29-19-9-3-4-10-20(19)30-26/h3-5,7-10,13-14,23,27-28H,2,6,11-12H2,1H3,(H,29,30)
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Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167508
PNG
(US9073917, 5- comparative)
Show SMILES O=C1CCCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C23H19N5O2/c29-19-10-4-9-18-21(19)20(15-12-24-28-22(15)25-18)13-5-3-6-14(11-13)30-23-26-16-7-1-2-8-17(16)27-23/h1-3,5-8,11-12,20H,4,9-10H2,(H,26,27)(H2,24,25,28)
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Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167507
PNG
(US9073917, 4- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C26H24N4OS/c1-2-18-25-17(14-27-18)23(24-21(28-25)11-6-12-22(24)31)15-7-5-8-16(13-15)32-26-29-19-9-3-4-10-20(19)30-26/h3-5,7-10,13-14,23,27-28H,2,6,11-12H2,1H3,(H,29,30)
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Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167512
PNG
(US9073917, 11- comparative | US9073917, 9- compara...)
Show SMILES CCc1[nH]cc2C(C3=C(CNCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C25H23N5OS/c1-2-17-24-16(11-27-17)22(23-20(28-24)12-26-13-21(23)31)14-6-5-7-15(10-14)32-25-29-18-8-3-4-9-19(18)30-25/h3-11,22,26-28H,2,12-13H2,1H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167513
PNG
(US9073917, 10- comparative)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]cc1C2c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C25H23N5O2/c1-25(2)11-19-22(20(31)12-25)21(16-13-26-30-23(16)27-19)14-6-5-7-15(10-14)32-24-28-17-8-3-4-9-18(17)29-24/h3-10,13,21H,11-12H2,1-2H3,(H,28,29)(H2,26,27,30)
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n/an/a 9n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167516
PNG
(US9073917, 13- comparative)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(OC)c5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1/C26H24N4O5S/c1-3-34-25(32)24-22-13(12-27-24)20(21-14(28-22)6-4-8-16(21)31)17-10-11-19(35-17)36-26-29-15-7-5-9-18(33-2)23(15)30-26/h5,7,9-12,20,27-28H,3-4,6,8H2,1-2H3,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167509
PNG
(US9073917, 6- comparative)
Show SMILES O=C1CNCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C22H18N6O2/c29-18-11-23-10-17-20(18)19(14-9-24-28-21(14)25-17)12-4-3-5-13(8-12)30-22-26-15-6-1-2-7-16(15)27-22/h1-9,19,23H,10-11H2,(H,26,27)(H2,24,25,28)
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n/an/a 13n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM209861
PNG
(5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12
Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
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n/an/a 15n/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B/INCENP (unknown origin) pre-incubated for 1 hr followed by FL-PKAtide substrate and ATP addition


Eur J Med Chem 140: 1-19 (2017)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50244953
PNG
(CHEMBL4063500)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32)
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n/an/a 19n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167511
PNG
(US9073917, 8- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C28H28N4OS/c1-4-19-26-18(15-29-19)24(25-22(30-26)13-28(2,3)14-23(25)33)16-8-7-9-17(12-16)34-27-31-20-10-5-6-11-21(20)32-27/h5-12,15,24,29-30H,4,13-14H2,1-3H3,(H,31,32)
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n/an/a 21n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM167512
PNG
(US9073917, 11- comparative | US9073917, 9- compara...)
Show SMILES CCc1[nH]cc2C(C3=C(CNCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C25H23N5OS/c1-2-17-24-16(11-27-17)22(23-20(28-24)12-26-13-21(23)31)14-6-5-7-15(10-14)32-25-29-18-8-3-4-9-19(18)30-25/h3-11,22,26-28H,2,12-13H2,1H3,(H,29,30)
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n/an/a 107n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of dif...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198027
PNG
(CHEMBL3921246)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24-
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n/an/a 150n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467633
PNG
(CHEMBL4291945)
Show SMILES Cc1ccnc(COc2ccc(C)nc2-c2ccc3CCNCCc3c2)c1
Show InChI InChI=1S/C23H25N3O/c1-16-7-12-25-21(13-16)15-27-22-6-3-17(2)26-23(22)20-5-4-18-8-10-24-11-9-19(18)14-20/h3-7,12-14,24H,8-11,15H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198044
PNG
(CHEMBL3903187)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C
Show InChI InChI=1S/C25H22N8OS/c1-3-16-4-8-20(9-5-16)28-25-33(2)24(34)21(35-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)23-29-31-32-30-23/h4-15H,3H2,1-2H3,(H,26,27)(H,29,30,31,32)/b21-14-,28-25-
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n/an/a 830n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198086
PNG
(CHEMBL3985313)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCCC(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C23H24N4O4S/c1-3-15-7-9-17(10-8-15)25-23-27(2)22(31)18(32-23)13-16-11-12-24-19(14-16)26-20(28)5-4-6-21(29)30/h7-14H,3-6H2,1-2H3,(H,29,30)(H,24,26,28)/b18-13-,25-23-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198082
PNG
(CHEMBL3904239)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C25H22N4O3S/c1-3-16-4-8-20(9-5-16)28-25-29(2)23(30)21(33-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)24(31)32/h4-15H,3H2,1-2H3,(H,26,27)(H,31,32)/b21-14-,28-25-
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n/an/a 1.54E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198081
PNG
(CHEMBL3915550)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCC(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C22H22N4O4S/c1-3-14-4-6-16(7-5-14)24-22-26(2)21(30)17(31-22)12-15-10-11-23-18(13-15)25-19(27)8-9-20(28)29/h4-7,10-13H,3,8-9H2,1-2H3,(H,28,29)(H,23,25,27)/b17-12-,24-22-
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198045
PNG
(CHEMBL3975102)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C
Show InChI InChI=1S/C25H24N4O2S/c1-3-17-4-8-21(9-5-17)28-25-29(2)24(31)22(32-25)14-19-12-13-26-23(15-19)27-20-10-6-18(16-30)7-11-20/h4-15,30H,3,16H2,1-2H3,(H,26,27)/b22-14-,28-25-
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198080
PNG
(CHEMBL3932394)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CC(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C21H20N4O4S/c1-3-13-4-6-15(7-5-13)23-21-25(2)20(29)16(30-21)10-14-8-9-22-17(11-14)24-18(26)12-19(27)28/h4-11H,3,12H2,1-2H3,(H,27,28)(H,22,24,26)/b16-10-,23-21-
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM60452
PNG
(US9073917, 3-comparative)
Show SMILES CCc1[nH]cc2[C@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
Show InChI InChI=1/C26H24N4O2/c1-2-18-25-17(14-27-18)23(24-21(28-25)11-6-12-22(24)31)15-7-5-8-16(13-15)32-26-29-19-9-3-4-10-20(19)30-26/h3-5,7-10,13-14,23,27-28H,2,6,11-12H2,1H3,(H,29,30)/t23-/s2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The effect of the compounds of the invention on the activity of the enzyme PDE3 was evaluated by the company CEREP (Le bois I'Evêque, 86600 Celle...


US Patent US9073917 (2015)


BindingDB Entry DOI: 10.7270/Q2H993X4
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467663
PNG
(CHEMBL4285153)
Show SMILES CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
Show InChI InChI=1S/C26H28N2O3/c1-3-30-24-10-13-28-23(16-24)17-31-26-7-6-20(18(2)29)15-25(26)22-5-4-19-8-11-27-12-9-21(19)14-22/h4-7,10,13-16,27H,3,8-9,11-12,17H2,1-2H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467637
PNG
(CHEMBL4287010)
Show SMILES CC(=O)c1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C25H26N2O2/c1-17-7-12-27-23(13-17)16-29-25-6-5-20(18(2)28)15-24(25)22-4-3-19-8-10-26-11-9-21(19)14-22/h3-7,12-15,26H,8-11,16H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198079
PNG
(CHEMBL3924918)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C
Show InChI InChI=1S/C21H23N5O2S/c1-3-14-4-6-16(7-5-14)24-21-26(2)20(28)17(29-21)12-15-9-11-23-18(13-15)25-19(27)8-10-22/h4-7,9,11-13H,3,8,10,22H2,1-2H3,(H,23,25,27)/b17-12-,24-21-
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467634
PNG
(CHEMBL4284904)
Show SMILES COc1ccc(cc1)-c1ccccc1OCc1ccccn1
Show InChI InChI=1S/C19H17NO2/c1-21-17-11-9-15(10-12-17)18-7-2-3-8-19(18)22-14-16-6-4-5-13-20-16/h2-13H,14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467650
PNG
(CHEMBL4282883)
Show SMILES CCc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
Show InChI InChI=1S/C26H28N2O2/c1-3-19-8-13-28-24(14-19)17-30-26-7-6-21(18(2)29)16-25(26)23-5-4-20-9-11-27-12-10-22(20)15-23/h4-8,13-16,27H,3,9-12,17H2,1-2H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467639
PNG
(CHEMBL4283270)
Show SMILES COc1ccc(cc1)-c1cc(ccc1OCc1ccccn1)C(C)=O
Show InChI InChI=1S/C21H19NO3/c1-15(23)17-8-11-21(25-14-18-5-3-4-12-22-18)20(13-17)16-6-9-19(24-2)10-7-16/h3-13H,14H2,1-2H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467671
PNG
(CHEMBL4278479)
Show SMILES COc1ccc(cc1)-c1nc(C)ccc1OCc1ccc(C)cn1
Show InChI InChI=1S/C20H20N2O2/c1-14-4-8-17(21-12-14)13-24-19-11-5-15(2)22-20(19)16-6-9-18(23-3)10-7-16/h4-12H,13H2,1-3H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467641
PNG
(CHEMBL4281815)
Show SMILES COc1ccc(cc1)-c1nc(C)ccc1OCc1cc(C)ccn1
Show InChI InChI=1S/C20H20N2O2/c1-14-10-11-21-17(12-14)13-24-19-9-4-15(2)22-20(19)16-5-7-18(23-3)8-6-16/h4-12H,13H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467642
PNG
(CHEMBL4280691)
Show SMILES COc1ccc(cc1)-c1cc(ccc1OCc1ccncn1)C(C)=O
Show InChI InChI=1S/C20H18N2O3/c1-14(23)16-5-8-20(25-12-17-9-10-21-13-22-17)19(11-16)15-3-6-18(24-2)7-4-15/h3-11,13H,12H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467649
PNG
(CHEMBL4283403)
Show SMILES CNC(=O)c1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C25H27N3O2/c1-17-7-12-28-22(13-17)16-30-24-6-5-21(25(29)26-2)15-23(24)20-4-3-18-8-10-27-11-9-19(18)14-20/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,26,29)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467670
PNG
(CHEMBL4285648)
Show SMILES Cc1ccc(cc1)-c1ncccc1OCc1ccccn1
Show InChI InChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467636
PNG
(CHEMBL4289500)
Show SMILES COc1ccc(c(OCc2cc(C)ccn2)c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C24H26N2O2/c1-17-7-12-26-21(13-17)16-28-24-15-22(27-2)5-6-23(24)20-4-3-18-8-10-25-11-9-19(18)14-20/h3-7,12-15,25H,8-11,16H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/INCENP


(Homo sapiens (Human))
BDBM50419247
PNG
(CHEMBL1835071 | US8470835, 1)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/s2
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US Patent
n/an/a 2.00E+4n/an/an/an/a8.030



Glaxo Group Limited

US Patent


Assay Description
Recombinant human Aurora B (2-344) was expressed as a Flag-6His-Thr-tagged protein. The activity of Aurora B was assessed using a Fluorescence Polar...


US Patent US8470835 (2013)


BindingDB Entry DOI: 10.7270/Q28S4NJK
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50198078
PNG
(CHEMBL3941377)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C
Show InChI InChI=1S/C18H18N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-11H,3H2,1-2H3,(H2,19,20)/b15-10-,21-18-
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467648
PNG
(CHEMBL4279990)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCc2c1
Show InChI InChI=1S/C23H22N2O2/c1-16(26)18-7-8-23(27-15-21-4-2-3-10-25-21)22(13-18)19-6-5-17-9-11-24-14-20(17)12-19/h2-8,10,12-13,24H,9,11,14-15H2,1H3
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n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467664
PNG
(CHEMBL4293324)
Show SMILES Cc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C#N)c1
Show InChI InChI=1S/C24H23N3O/c1-17-6-11-27-22(12-17)16-28-24-5-2-18(15-25)13-23(24)21-4-3-19-7-9-26-10-8-20(19)14-21/h2-6,11-14,26H,7-10,16H2,1H3
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n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467653
PNG
(CHEMBL4290299)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CNCc2c1
Show InChI InChI=1S/C22H20N2O2/c1-15(25)16-7-8-22(26-14-20-4-2-3-9-24-20)21(11-16)17-5-6-18-12-23-13-19(18)10-17/h2-11,23H,12-14H2,1H3
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n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467667
PNG
(CHEMBL4276958)
Show SMILES COc1cccc(c1)-c1cc(ccc1OCc1ccccn1)C(C)=O
Show InChI InChI=1S/C21H19NO3/c1-15(23)16-9-10-21(25-14-18-7-3-4-11-22-18)20(13-16)17-6-5-8-19(12-17)24-2/h3-13H,14H2,1-2H3
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n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467665
PNG
(CHEMBL4287765)
Show SMILES COc1ccc(OCc2cnccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C22H23N3O2/c1-26-20-4-5-22(27-15-19-14-24-10-11-25-19)21(13-20)18-3-2-16-6-8-23-9-7-17(16)12-18/h2-5,10-14,23H,6-9,15H2,1H3
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n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467644
PNG
(CHEMBL4281286)
Show SMILES COc1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C24H26N2O2/c1-17-7-12-26-21(13-17)16-28-24-6-5-22(27-2)15-23(24)20-4-3-18-8-10-25-11-9-19(18)14-20/h3-7,12-15,25H,8-11,16H2,1-2H3
PDB

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n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467630
PNG
(CHEMBL4291402)
Show SMILES COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3
PDB

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PDB
UniChem
PubMed
n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467658
PNG
(CHEMBL4289584)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCCNCc2c1
Show InChI InChI=1S/C24H24N2O2/c1-17(27)19-9-10-24(28-16-22-6-2-3-12-26-22)23(14-19)20-8-7-18-5-4-11-25-15-21(18)13-20/h2-3,6-10,12-14,25H,4-5,11,15-16H2,1H3
PDB

GoogleScholar
UniChem
PubMed
n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467675
PNG
(CHEMBL4280620)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C24H24N2O2/c1-17(27)19-7-8-24(28-16-22-4-2-3-11-26-22)23(15-19)21-6-5-18-9-12-25-13-10-20(18)14-21/h2-8,11,14-15,25H,9-10,12-13,16H2,1H3
PDB

GoogleScholar
UniChem
PubMed
n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467674
PNG
(CHEMBL4281737)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CNCCc2c1
Show InChI InChI=1S/C23H22N2O2/c1-16(26)17-7-8-23(27-15-21-4-2-3-10-25-21)22(13-17)19-5-6-20-14-24-11-9-18(20)12-19/h2-8,10,12-13,24H,9,11,14-15H2,1H3
PDB

GoogleScholar
UniChem
PubMed
n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467655
PNG
(CHEMBL4285253)
Show SMILES COc1ccc(cc1)-c1nc(C)ccc1OCc1cccc(C)n1
Show InChI InChI=1S/C20H20N2O2/c1-14-5-4-6-17(21-14)13-24-19-12-7-15(2)22-20(19)16-8-10-18(23-3)11-9-16/h4-12H,13H2,1-3H3
PDB

GoogleScholar
UniChem
PubMed
n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)

More data for this
Ligand-Target Pair
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