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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50048150   
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))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.700n/an/an/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora A (1 to 403 residues) (unknown origin) expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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4.60n/an/an/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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18n/an/an/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora B (62 to 344 residues) (unknown origin) expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(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 0.0460n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Aurora A expressed in Escherichia coli using RRR(GLRRASLG)4R-NH2 as substrate after 40 mins in presence of...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50206389
PNG
(CHEMBL3939307)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)
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n/an/a 0.100n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin)


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50206389
PNG
(CHEMBL3939307)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)
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n/an/a 0.100n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin)


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50206389
PNG
(CHEMBL3939307)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)
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n/an/a 0.200n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(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 12n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged Aurora C (1 to 275 end residues) expressed in baculovirus expression system using G...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(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 14n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged Aurora B (1 to 344 end residues) expressed in baculovirus expression system coexpre...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206412
PNG
(CHEMBL3986609)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11-
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n/an/a 15n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206393
PNG
(CHEMBL3954695)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc12
Show InChI InChI=1S/C23H17N5O7S/c29-21(10-11-22(30)31)24-15-3-1-2-14(12-15)23-19-13-16(4-9-20(19)25-26-23)27-36(34,35)18-7-5-17(6-8-18)28(32)33/h1-13,27H,(H,24,29)(H,25,26)(H,30,31)/b11-10-
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n/an/a 26n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206412
PNG
(CHEMBL3986609)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11-
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n/an/a 26n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206406
PNG
(CHEMBL3975342)
Show SMILES OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H20N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,27H,11-12H2,(H,24,28)(H,25,26)(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206409
PNG
(CHEMBL3983327)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C23H17FN4O5S/c24-15-4-7-18(8-5-15)34(32,33)28-17-6-9-20-19(13-17)23(27-26-20)14-2-1-3-16(12-14)25-21(29)10-11-22(30)31/h1-13,28H,(H,25,29)(H,26,27)(H,30,31)/b11-10-
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n/an/a 30n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206391
PNG
(CHEMBL3894492)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-18-6-8-19(9-7-18)35(32,33)28-17-5-10-21-20(14-17)24(27-26-21)15-3-2-4-16(13-15)25-22(29)11-12-23(30)31/h2-14,28H,1H3,(H,25,29)(H,26,27)(H,30,31)/b12-11-
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n/an/a 31n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206413
PNG
(CHEMBL3974375)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
Show InChI InChI=1S/C24H20N4O5S/c1-15-5-8-19(9-6-15)34(32,33)28-18-7-10-21-20(14-18)24(27-26-21)16-3-2-4-17(13-16)25-22(29)11-12-23(30)31/h2-14,28H,1H3,(H,25,29)(H,26,27)(H,30,31)/b12-11-
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n/an/a 32n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206408
PNG
(CHEMBL3939365)
Show SMILES COC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C24H22N4O5S/c1-33-23(30)13-12-22(29)25-17-7-5-6-16(14-17)24-20-15-18(10-11-21(20)26-27-24)28-34(31,32)19-8-3-2-4-9-19/h2-11,14-15,28H,12-13H2,1H3,(H,25,29)(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206415
PNG
(CHEMBL3923159)
Show SMILES NC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H21N5O4S/c24-21(29)11-12-22(30)25-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)26-27-23)28-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,28H,11-12H2,(H2,24,29)(H,25,30)(H,26,27)
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n/an/a 49n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206407
PNG
(CHEMBL3946005)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11+
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n/an/a 51n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206409
PNG
(CHEMBL3983327)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C23H17FN4O5S/c24-15-4-7-18(8-5-15)34(32,33)28-17-6-9-20-19(13-17)23(27-26-20)14-2-1-3-16(12-14)25-21(29)10-11-22(30)31/h1-13,28H,(H,25,29)(H,26,27)(H,30,31)/b11-10-
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n/an/a 60n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206392
PNG
(CHEMBL3922175)
Show SMILES CCOC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C25H24N4O5S/c1-2-34-24(31)14-13-23(30)26-18-8-6-7-17(15-18)25-21-16-19(11-12-22(21)27-28-25)29-35(32,33)20-9-4-3-5-10-20/h3-12,15-16,29H,2,13-14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 64n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206415
PNG
(CHEMBL3923159)
Show SMILES NC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H21N5O4S/c24-21(29)11-12-22(30)25-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)26-27-23)28-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,28H,11-12H2,(H2,24,29)(H,25,30)(H,26,27)
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n/an/a 66n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206406
PNG
(CHEMBL3975342)
Show SMILES OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H20N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,27H,11-12H2,(H,24,28)(H,25,26)(H,29,30)
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n/an/a 74n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206408
PNG
(CHEMBL3939365)
Show SMILES COC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C24H22N4O5S/c1-33-23(30)13-12-22(29)25-17-7-5-6-16(14-17)24-20-15-18(10-11-21(20)26-27-24)28-34(31,32)19-8-3-2-4-9-19/h2-11,14-15,28H,12-13H2,1H3,(H,25,29)(H,26,27)
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n/an/a 83n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206416
PNG
(CHEMBL3953964)
Show SMILES CC#CC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H18N4O3S/c1-2-7-22(28)24-17-9-6-8-16(14-17)23-20-15-18(12-13-21(20)25-26-23)27-31(29,30)19-10-4-3-5-11-19/h3-6,8-15,27H,1H3,(H,24,28)(H,25,26)
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n/an/a 85n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206392
PNG
(CHEMBL3922175)
Show SMILES CCOC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C25H24N4O5S/c1-2-34-24(31)14-13-23(30)26-18-8-6-7-17(15-18)25-21-16-19(11-12-22(21)27-28-25)29-35(32,33)20-9-4-3-5-10-20/h3-12,15-16,29H,2,13-14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 208n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206414
PNG
(CHEMBL3935219)
Show SMILES CC(C)OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C26H26N4O5S/c1-17(2)35-25(32)14-13-24(31)27-19-8-6-7-18(15-19)26-22-16-20(11-12-23(22)28-29-26)30-36(33,34)21-9-4-3-5-10-21/h3-12,15-17,30H,13-14H2,1-2H3,(H,27,31)(H,28,29)
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n/an/a 220n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206419
PNG
(CHEMBL3901797)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12
Show InChI InChI=1S/C24H19N5O4/c30-21(11-12-22(31)32)25-17-8-4-5-15(13-17)23-19-14-18(9-10-20(19)28-29-23)27-24(33)26-16-6-2-1-3-7-16/h1-14H,(H,25,30)(H,28,29)(H,31,32)(H2,26,27,33)/b12-11-
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n/an/a 260n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206446
PNG
(CHEMBL3912937)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-10-9-17(14-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11-
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n/an/a 260n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206413
PNG
(CHEMBL3974375)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
Show InChI InChI=1S/C24H20N4O5S/c1-15-5-8-19(9-6-15)34(32,33)28-18-7-10-21-20(14-18)24(27-26-21)16-3-2-4-17(13-16)25-22(29)11-12-23(30)31/h2-14,28H,1H3,(H,25,29)(H,26,27)(H,30,31)/b12-11-
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n/an/a 310n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206414
PNG
(CHEMBL3935219)
Show SMILES CC(C)OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C26H26N4O5S/c1-17(2)35-25(32)14-13-24(31)27-19-8-6-7-18(15-19)26-22-16-20(11-12-23(22)28-29-26)30-36(33,34)21-9-4-3-5-10-21/h3-12,15-17,30H,13-14H2,1-2H3,(H,27,31)(H,28,29)
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n/an/a 314n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206391
PNG
(CHEMBL3894492)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-18-6-8-19(9-7-18)35(32,33)28-17-5-10-21-20(14-17)24(27-26-21)15-3-2-4-16(13-15)25-22(29)11-12-23(30)31/h2-14,28H,1H3,(H,25,29)(H,26,27)(H,30,31)/b12-11-
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n/an/a 480n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206393
PNG
(CHEMBL3954695)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc12
Show InChI InChI=1S/C23H17N5O7S/c29-21(10-11-22(30)31)24-15-3-1-2-14(12-15)23-19-13-16(4-9-20(19)25-26-23)27-36(34,35)18-7-5-17(6-8-18)28(32)33/h1-13,27H,(H,24,29)(H,25,26)(H,30,31)/b11-10-
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n/an/a 480n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206410
PNG
(CHEMBL3929110)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O3/c21-15(8-9-16(22)23)18-12-5-3-4-11(10-12)17-13-6-1-2-7-14(13)19-20-17/h1-10H,(H,18,21)(H,19,20)(H,22,23)/b9-8-
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n/an/a 790n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206418
PNG
(CHEMBL3961791)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NCc3ccccc3)cc12
Show InChI InChI=1S/C24H20N4O3/c29-22(11-12-23(30)31)26-19-8-4-7-17(13-19)24-20-14-18(9-10-21(20)27-28-24)25-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,26,29)(H,27,28)(H,30,31)/b12-11-
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n/an/a 790n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206390
PNG
(CHEMBL3909328)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
Show InChI InChI=1S/C24H18N4O4/c29-21(11-12-22(30)31)25-17-8-4-7-16(13-17)23-19-14-18(9-10-20(19)27-28-23)26-24(32)15-5-2-1-3-6-15/h1-14H,(H,25,29)(H,26,32)(H,27,28)(H,30,31)/b12-11-
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n/an/a 950n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206417
PNG
(CHEMBL3964280)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C29H22N4O5S/c34-27(15-16-28(35)36)30-22-8-4-7-21(17-22)29-25-18-23(11-14-26(25)31-32-29)33-39(37,38)24-12-9-20(10-13-24)19-5-2-1-3-6-19/h1-18,33H,(H,30,34)(H,31,32)(H,35,36)/b16-15-
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50206416
PNG
(CHEMBL3953964)
Show SMILES CC#CC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H18N4O3S/c1-2-7-22(28)24-17-9-6-8-16(14-17)23-20-15-18(12-13-21(20)25-26-23)27-31(29,30)19-10-4-3-5-11-19/h3-6,8-15,27H,1H3,(H,24,28)(H,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206447
PNG
(CHEMBL3946537)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(NC(=O)\C=C/C(O)=O)c3)c2c1
Show InChI InChI=1S/C27H26N4O5S/c1-27(2,3)18-7-10-21(11-8-18)37(35,36)31-20-9-12-23-22(16-20)26(30-29-23)17-5-4-6-19(15-17)28-24(32)13-14-25(33)34/h4-16,31H,1-3H3,(H,28,32)(H,29,30)(H,33,34)/b14-13-
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206444
PNG
(CHEMBL3901151)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C16H13N3O/c1-2-15(20)17-12-7-5-6-11(10-12)16-13-8-3-4-9-14(13)18-19-16/h2-10H,1H2,(H,17,20)(H,18,19)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206411
PNG
(CHEMBL3901743)
Show SMILES CCNC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C19H18N4O2/c1-2-20-17(24)10-11-18(25)21-14-7-5-6-13(12-14)19-15-8-3-4-9-16(15)22-23-19/h3-12H,2H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b11-10-
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n/an/a 2.86E+3n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206445
PNG
(CHEMBL3972822)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C19H17N3O3/c1-2-25-18(24)11-10-17(23)20-14-7-5-6-13(12-14)19-15-8-3-4-9-16(15)21-22-19/h3-12H,2H2,1H3,(H,20,23)(H,21,22)/b11-10+
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n/an/a 9.61E+3n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50206394
PNG
(CHEMBL3970521)
Show SMILES Nc1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C13H11N3/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13/h1-8H,14H2,(H,15,16)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair