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Compile Data Set for Download or QSAR

Found 101 hits for UniProtKB: Q9NQS7   
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))
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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0.0200n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B/INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 120 mins


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


BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair
Aurora-C/INCENP


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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1.5n/an/an/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora C/human GST-tagged INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 60 mins


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


BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465482
PNG
(CHEMBL4288628)
Show SMILES Cn1cc(cn1)-c1c[nH]c(=O)c(N)c1
Show InChI InChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14)
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3.20E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465481
PNG
(CHEMBL4291472)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1
Show InChI InChI=1S/C19H17N5O2/c25-17(12-4-2-1-3-5-12)23-16-10-13(11-21-18(16)26)15-8-9-20-19(24-15)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,26)(H,23,25)(H,20,22,24)
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3.60E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465478
PNG
(CHEMBL4286130)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)19-4-2-17(3-5-19)21(28)25-20-14-18(15-24-22(20)29)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,28)
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5.50E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
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7.40E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465486
PNG
(CHEMBL4282263)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C12H13N5O/c13-9-5-7(6-15-11(9)18)10-3-4-14-12(17-10)16-8-1-2-8/h3-6,8H,1-2,13H2,(H,15,18)(H,14,16,17)
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1.20E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465490
PNG
(CHEMBL4280041)
Show SMILES CN(C)Cc1ccc(cc1)-c1c[nH]c(=O)c(N)c1
Show InChI InChI=1S/C14H17N3O/c1-17(2)9-10-3-5-11(6-4-10)12-7-13(15)14(18)16-8-12/h3-8H,9,15H2,1-2H3,(H,16,18)
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1.29E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465485
PNG
(CHEMBL4292538)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(N)c1
Show InChI InChI=1S/C10H11N5O/c1-12-10-13-3-2-8(15-10)6-4-7(11)9(16)14-5-6/h2-5H,11H2,1H3,(H,14,16)(H,12,13,15)
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1.51E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465488
PNG
(CHEMBL4295011)
Show SMILES Nc1cc(c[nH]c1=O)-c1cncnc1
Show InChI InChI=1S/C9H8N4O/c10-8-1-6(4-13-9(8)14)7-2-11-5-12-3-7/h1-5H,10H2,(H,13,14)
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1.87E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50226223
PNG
(CHEMBL302219)
Show SMILES Cc1nc(O)c(N)cc1-c1ccncc1
Show InChI InChI=1S/C11H11N3O/c1-7-9(6-10(12)11(15)14-7)8-2-4-13-5-3-8/h2-6H,12H2,1H3,(H,14,15)
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2.57E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465492
PNG
(CHEMBL4292942)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H17N3O4/c1-25-15-7-13(8-16(10-15)26-2)18(23)22-17-9-14(11-21-19(17)24)12-3-5-20-6-4-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
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3.29E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50341532
PNG
(3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
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4.10E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465484
PNG
(CHEMBL4280308)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccnc2ccccc12
Show InChI InChI=1S/C14H11N3O/c15-12-7-9(8-17-14(12)18)10-5-6-16-13-4-2-1-3-11(10)13/h1-8H,15H2,(H,17,18)
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4.17E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM34651
PNG
(Amrinon | Amrinone | CHEMBL12856 | Cordemcura | IN...)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
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5.93E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465483
PNG
(CHEMBL4291350)
Show SMILES COc1ncc(cc1N)-c1ccncc1
Show InChI InChI=1S/C11H11N3O/c1-15-11-10(12)6-9(7-14-11)8-2-4-13-5-3-8/h2-7H,12H2,1H3
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6.39E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465487
PNG
(CHEMBL1605269)
Show SMILES Nc1cc(cnc1O)-c1ccccc1
Show InChI InChI=1S/C11H10N2O/c12-10-6-9(7-13-11(10)14)8-4-2-1-3-5-8/h1-7H,12H2,(H,13,14)
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7.03E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465489
PNG
(CHEMBL1201292)
Show SMILES Nc1cc(c[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C10H9N3O/c11-9-4-8(6-13-10(9)14)7-2-1-3-12-5-7/h1-6H,11H2,(H,13,14)
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9.72E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465495
PNG
(CHEMBL4278218)
Show SMILES O=c1[nH]cc(cc1NS(=O)(=O)c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C16H13N3O3S/c20-16-15(19-23(21,22)14-4-2-1-3-5-14)10-13(11-18-16)12-6-8-17-9-7-12/h1-11,19H,(H,18,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465477
PNG
(CHEMBL4285109)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C18H15N3O3/c1-24-15-4-2-3-13(9-15)17(22)21-16-10-14(11-20-18(16)23)12-5-7-19-8-6-12/h2-11H,1H3,(H,20,23)(H,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465491
PNG
(CHEMBL4278538)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C(N)=O
Show InChI InChI=1S/C12H11N3O2/c1-7-9(8-2-4-14-5-3-8)6-10(11(13)16)12(17)15-7/h2-6H,1H3,(H2,13,16)(H,15,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465494
PNG
(CHEMBL4279867)
Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C17H11F2N3O2/c18-13-5-11(6-14(19)8-13)16(23)22-15-7-12(9-21-17(15)24)10-1-3-20-4-2-10/h1-9H,(H,21,24)(H,22,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465493
PNG
(CHEMBL4281678)
Show SMILES Fc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C17H12FN3O2/c18-14-3-1-2-12(8-14)16(22)21-15-9-13(10-20-17(15)23)11-4-6-19-7-5-11/h1-10H,(H,20,23)(H,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465480
PNG
(CHEMBL4282410)
Show SMILES Cn1cc(cc(N)c1=O)-c1ccncc1
Show InChI InChI=1S/C11H11N3O/c1-14-7-9(6-10(12)11(14)15)8-2-4-13-5-3-8/h2-7H,12H2,1H3
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1.03E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50465479
PNG
(CHEMBL4286709)
Show SMILES Nc1ccc[nH]c1=O
Show InChI InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
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1.60E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in bacul...


Bioorg Med Chem 26: 3021-3029 (2018)


BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
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
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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=1S/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
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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))
BDBM167506
PNG
(US9073917, 1-inventive)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
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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))
BDBM167510
PNG
(US9073917, 7- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CC(C)(C)CC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1
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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))
BDBM167507
PNG
(US9073917, 4- comparative)
Show SMILES CCc1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Sc2nc3ccccc3[nH]2)c1
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n/an/a 6n/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))
BDBM167508
PNG
(US9073917, 5- comparative)
Show SMILES O=C1CCCC2=C1C(c1c[nH]nc1N2)c1cccc(Oc2nc3ccccc3[nH]2)c1
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n/an/a 6n/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
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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
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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
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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
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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)


BindingDB Entry DOI: 10.7270/Q2WD4385
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
BindingDB Entry DOI: 10.7270/Q2KS6TZK
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
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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-C/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 22n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged Aurora-C (35-end residues)/N-terminal GST-tagged INCENP (821-end residues) expressed in baculo...


J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK
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
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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)


BindingDB Entry DOI: 10.7270/Q2X3515K
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
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