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PubMed code 27391133

Compile data set for download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
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 |c:11|
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 0.0400n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|
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 0.0640n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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 |c:11|
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
More data for this
Ligand-Target Pair
Aurora kinase B


(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 |c:11|
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 1.5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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 |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|
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
More data for this
Ligand-Target Pair
Aurora kinase A


(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
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n/an/a 1.70n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(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
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n/an/a 2n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(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
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n/an/a 4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
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n/an/a 6n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
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n/an/a 6.20n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
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n/an/a 6.20n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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 |c:11|
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 6.70n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|
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>10n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198052
PNG
(CHEMBL3896597)
Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
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n/an/a 24n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198052
PNG
(CHEMBL3896597)
Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
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n/an/a 24n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
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n/an/a 25n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50198045
PNG
(CHEMBL3975102)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(CO)cc3)c2)C(=O)N1C
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n/an/a 130n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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
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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198079
PNG
(CHEMBL3924918)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCN)c2)C(=O)N1C
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n/an/a 190n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198078
PNG
(CHEMBL3941377)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(N)c2)C(=O)N1C
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n/an/a 190n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198084
PNG
(CHEMBL3913242)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccn3)c2)C(=O)N1C
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n/an/a 220n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198077
PNG
(CHEMBL3951166)
Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(Br)cc1
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n/an/a 300n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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 |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|
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 300n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198076
PNG
(CHEMBL3939478)
Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(F)(F)F
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n/an/a 370n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198042
PNG
(CHEMBL3935395)
Show SMILES CCN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(CC)cc1
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n/an/a 380n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198041
PNG
(CHEMBL3984254)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
PDB
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n/an/a 390n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198152
PNG
(CHEMBL3923442)
Show SMILES CCc1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1ccncc1
PDB
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n/an/a 430n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198048
PNG
(CHEMBL3941909)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CCOC
PDB
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n/an/a 480n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50198043
PNG
(CHEMBL3983087)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccccc3)c2)C(=O)N1C
PDB
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n/an/a 600n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
PDB
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n/an/a 760n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50198162
PNG
(CHEMBL3938394)
Show SMILES CC(C)c1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
PDB
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n/an/a 780n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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
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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198153
PNG
(CHEMBL3924626)
Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(N)c2)C(=O)N1C
PDB
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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
PDB

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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
More data for this
Ligand-Target Pair
Aurora kinase A


(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
PDB
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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 His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198046
PNG
(CHEMBL3911508)
Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(C)(C)C
PDB
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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
PDB

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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198159
PNG
(CHEMBL3956916)
Show SMILES CCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
PDB
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198074
PNG
(CHEMBL3914435)
Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(C)c(C)c1
PDB
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198154
PNG
(CHEMBL3949078)
Show SMILES Oc1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
PDB
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB

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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
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
PDB

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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198049
PNG
(CHEMBL3967949)
Show SMILES CCCCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
PDB
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198050
PNG
(CHEMBL3921919)
Show SMILES OC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
PDB
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198157
PNG
(CHEMBL3974813)
Show SMILES OC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
PDB
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198051
PNG
(CHEMBL3984529)
Show SMILES CCc1cccc(c1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
PDB
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198053
PNG
(CHEMBL3976213)
Show SMILES O=c1[nH]c2ccccc2n1-c1nc2ccccc2[nH]1
PDB
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50197973
PNG
(CHEMBL3920194)
Show SMILES Cc1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
PDB
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198083
PNG
(CHEMBL3955906)
Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccccc1
PDB
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198155
PNG
(CHEMBL3905664)
Show SMILES Brc1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
PDB
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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
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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50197972
PNG
(CHEMBL3982818)
Show SMILES CNC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
PDB
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50197976
PNG
(CHEMBL3915966)
Show SMILES Oc1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
PDB
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198069
PNG
(CHEMBL3981269)
Show SMILES Cc1cccc2[nH]c(nc12)-n1c2ccccc2[nH]c1=O
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198071
PNG
(CHEMBL3902875)
Show SMILES Oc1cccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c12
PDB
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198163
PNG
(CHEMBL3966317)
Show SMILES Oc1cccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c12
PDB
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
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
PDB

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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198156
PNG
(CHEMBL3930861)
Show SMILES Clc1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
PDB
MMDB

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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 His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase B


(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
PDB

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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198073
PNG
(CHEMBL3903930)
Show SMILES CNC(=O)c1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198160
PNG
(CHEMBL3929346)
Show SMILES CCc1ccccc1\N=C1/S\C(=C/c2ccncc2)C(=O)N1C
PDB
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198070
PNG
(CHEMBL3893267)
Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-n1c2ccccc2[nH]c1=O
PDB
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n/an/a>7.00E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198161
PNG
(CHEMBL3915641)
Show SMILES CCc1ccc(cc1)\N=C1/SC2(CC2c2ccnc(N)c2)C(=O)N1C
PDB
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198026
PNG
(CHEMBL3970952)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccncc2)C(=O)N1CC1CCCCC1
PDB
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198158
PNG
(CHEMBL3985380)
Show SMILES CCc1ccc(cc1)\N=C1\SC2(CC2c2ccnc(N)c2)C(=O)N1C
PDB
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50198072
PNG
(CHEMBL3912939)
Show SMILES Clc1ccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
PDB
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(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
PDB
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n/an/an/a 120n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to auto-inhibited human CSF1R expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competitio...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
PDB
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase in human HeLa Kyoto cells assessed as induction of defective chromosome alignment during metaphase incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SPS1/STE20-related protein kinase YSK4


(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
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n/an/an/a 2.90E+3n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human YSK4 expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(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
PDB

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n/an/an/a 11n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human Aurora C kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition ass...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma


(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
PDB
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n/an/an/a 480n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human PIP5K2C expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(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
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n/an/an/a 450n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human DAPK2 expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Aurora kinase A


(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
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
PDB
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PDB
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n/an/an/a 5n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human Aurora A kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition ass...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(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
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n/an/an/a 10n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human Aurora B kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition ass...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(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
PDB
MMDB

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n/an/an/a 1.50E+3n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Binding affinity to human PIK3CG expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%