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PubMed code 20338758

Compile data set for download or QSAR
Found 39 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))		BDBM50315839
PNG
(4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)ace...)
Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1
Show InChI InChI=1S/C28H30N6O2S/c1-19-15-26-23(18-25(19)30-27(35)17-22-7-4-14-37-22)24(31-32-26)9-8-20-5-3-6-21(16-20)29-28(36)34-12-10-33(2)11-13-34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,29,36)(H,30,35)(H,31,32)/b9-8+
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n/an/a 13n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315848
PNG
(CHEMBL1090568 | N-(6-methyl-3-styryl-1H-indazol-5-...)
Show SMILES Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C22H19N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/b10-9+
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n/an/a 17n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315850
PNG
(CHEMBL1091643 | N-(6-methyl-3-styryl-1H-indazol-5-...)
Show SMILES Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C24H21N3O/c1-17-14-23-20(21(26-27-23)13-12-18-8-4-2-5-9-18)16-22(17)25-24(28)15-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/b13-12+
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n/an/a 19n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315851
PNG
(2-phenyl-N-(3-styryl-1H-indazol-5-yl)acetamide | C...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C23H19N3O/c27-23(15-18-9-5-2-6-10-18)24-19-12-14-22-20(16-19)21(25-26-22)13-11-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,24,27)(H,25,26)/b13-11+
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n/an/a 22n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315837
PNG
(CHEMBL1091232 | N-(3-(3-((4-methylpiperazin-1-yl)m...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)cc34)c2)CC1
Show InChI InChI=1S/C27H29N5OS/c1-31-11-13-32(14-12-31)19-21-5-2-4-20(16-21)7-9-25-24-17-22(8-10-26(24)30-29-25)28-27(33)18-23-6-3-15-34-23/h2-10,15-17H,11-14,18-19H2,1H3,(H,28,33)(H,29,30)/b9-7+
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n/an/a 26n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315834
PNG
(1-phenyl-N-(3-styryl-1H-indazol-5-yl)methanesulfon...)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+
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n/an/a 31n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315832
PNG
(3-methyl-5-(4-methyl-3-(3-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(-c5cc(C)cc(N)c5)c(C)c34)c2)CC1
Show InChI InChI=1S/C29H33N5/c1-20-15-24(18-25(30)16-20)26-8-10-28-29(21(26)2)27(31-32-28)9-7-22-5-4-6-23(17-22)19-34-13-11-33(3)12-14-34/h4-10,15-18H,11-14,19,30H2,1-3H3,(H,31,32)/b9-7+
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n/an/a 31n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315837
PNG
(CHEMBL1091232 | N-(3-(3-((4-methylpiperazin-1-yl)m...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)cc34)c2)CC1
Show InChI InChI=1S/C27H29N5OS/c1-31-11-13-32(14-12-31)19-21-5-2-4-20(16-21)7-9-25-24-17-22(8-10-26(24)30-29-25)28-27(33)18-23-6-3-15-34-23/h2-10,15-17H,11-14,18-19H2,1H3,(H,28,33)(H,29,30)/b9-7+
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n/an/a 35n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315834
PNG
(1-phenyl-N-(3-styryl-1H-indazol-5-yl)methanesulfon...)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+
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n/an/a 35n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315835
PNG
(2-(2,5-dimethoxyphenyl)-N-(6-methyl-3-styryl-1H-in...)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1
Show InChI InChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+
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n/an/a 42n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315846
PNG
(5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-i...)
Show SMILES C1CCN(C1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1-c1ccncc1
Show InChI InChI=1S/C24H22N4/c1-2-6-18(7-3-1)8-9-22-21-16-20(19-10-12-25-13-11-19)24(17-23(21)27-26-22)28-14-4-5-15-28/h1-3,6-13,16-17H,4-5,14-15H2,(H,26,27)/b9-8+
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n/an/a 46n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315839
PNG
(4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)ace...)
Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1
Show InChI InChI=1S/C28H30N6O2S/c1-19-15-26-23(18-25(19)30-27(35)17-22-7-4-14-37-22)24(31-32-26)9-8-20-5-3-6-21(16-20)29-28(36)34-12-10-33(2)11-13-34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,29,36)(H,30,35)(H,31,32)/b9-8+
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n/an/a 46n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315848
PNG
(CHEMBL1090568 | N-(6-methyl-3-styryl-1H-indazol-5-...)
Show SMILES Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C22H19N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/b10-9+
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n/an/a 47n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315833
PNG
(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styr...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(C#N)c(C)c34)c2)CC1
Show InChI InChI=1S/C23H25N5/c1-17-20(15-24)7-9-22-23(17)21(25-26-22)8-6-18-4-3-5-19(14-18)16-28-12-10-27(2)11-13-28/h3-9,14H,10-13,16H2,1-2H3,(H,25,26)/b8-6+
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n/an/a 59n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315841
PNG
(4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrroli...)
Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1
Show InChI InChI=1S/C26H33N7O3S/c1-31-12-14-33(15-13-31)26(34)27-20-7-5-6-19(16-20)8-9-22-21-17-24(30-37(2,35)36)25(18-23(21)29-28-22)32-10-3-4-11-32/h5-9,16-18,30H,3-4,10-15H2,1-2H3,(H,27,34)(H,28,29)/b9-8+
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n/an/a 62n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315838
PNG
(CHEMBL1091231 | N-(6-methyl-3-(3-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4cc(C)c(NC(=O)Cc5cccs5)cc34)c2)CC1
Show InChI InChI=1S/C28H31N5OS/c1-20-15-27-24(18-26(20)29-28(34)17-23-7-4-14-35-23)25(30-31-27)9-8-21-5-3-6-22(16-21)19-33-12-10-32(2)11-13-33/h3-9,14-16,18H,10-13,17,19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+
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n/an/a 79n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315842
PNG
(6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-amine | ...)
Show SMILES Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C19H20N4/c20-16-12-15-17(9-8-14-6-2-1-3-7-14)21-22-18(15)13-19(16)23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,20H2,(H,21,22)/b9-8+
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n/an/a 81n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315840
PNG
(CHEMBL1090237 | N-(6-(pyrrolidin-1-yl)-3-styryl-1H...)
Show SMILES O=C(Cc1cccs1)Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C25H24N4OS/c30-25(15-19-9-6-14-31-19)26-23-16-20-21(11-10-18-7-2-1-3-8-18)27-28-22(20)17-24(23)29-12-4-5-13-29/h1-3,6-11,14,16-17H,4-5,12-13,15H2,(H,26,30)(H,27,28)/b11-10+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315836
PNG
(CHEMBL1091233 | N-(4-methyl-3-(3-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)c(C)c34)c2)CC1
Show InChI InChI=1S/C28H31N5OS/c1-20-24(29-27(34)18-23-7-4-16-35-23)10-11-26-28(20)25(30-31-26)9-8-21-5-3-6-22(17-21)19-33-14-12-32(2)13-15-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315840
PNG
(CHEMBL1090237 | N-(6-(pyrrolidin-1-yl)-3-styryl-1H...)
Show SMILES O=C(Cc1cccs1)Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C25H24N4OS/c30-25(15-19-9-6-14-31-19)26-23-16-20-21(11-10-18-7-2-1-3-8-18)27-28-22(20)17-24(23)29-12-4-5-13-29/h1-3,6-11,14,16-17H,4-5,12-13,15H2,(H,26,30)(H,27,28)/b11-10+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315843
PNG
(5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole |...)
Show SMILES [O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-23(25)19-12-15-16(9-8-14-6-2-1-3-7-14)20-21-17(15)13-18(19)22-10-4-5-11-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315847
PNG
(CHEMBL1093877 | N-(6-methyl-3-(phenylethynyl)-1H-i...)
Show SMILES Cc1cc2[nH]nc(C#Cc3ccccc3)c2cc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C22H17N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-8,11-12,14H,13H2,1H3,(H,23,26)(H,24,25)
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315844
PNG
(CHEMBL1093879 | N-(pyridin-2-ylmethyl)-6-(pyrrolid...)
Show SMILES C(Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1)c1ccccn1
Show InChI InChI=1S/C25H25N5/c1-2-8-19(9-3-1)11-12-22-21-16-24(27-18-20-10-4-5-13-26-20)25(17-23(21)29-28-22)30-14-6-7-15-30/h1-5,8-13,16-17,27H,6-7,14-15,18H2,(H,28,29)/b12-11+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315838
PNG
(CHEMBL1091231 | N-(6-methyl-3-(3-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4cc(C)c(NC(=O)Cc5cccs5)cc34)c2)CC1
Show InChI InChI=1S/C28H31N5OS/c1-20-15-27-24(18-26(20)29-28(34)17-23-7-4-14-35-23)25(30-31-27)9-8-21-5-3-6-22(16-21)19-33-12-10-32(2)11-13-33/h3-9,14-16,18H,10-13,17,19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315841
PNG
(4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrroli...)
Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1
Show InChI InChI=1S/C26H33N7O3S/c1-31-12-14-33(15-13-31)26(34)27-20-7-5-6-19(16-20)8-9-22-21-17-24(30-37(2,35)36)25(18-23(21)29-28-22)32-10-3-4-11-32/h5-9,16-18,30H,3-4,10-15H2,1-2H3,(H,27,34)(H,28,29)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315846
PNG
(5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-i...)
Show SMILES C1CCN(C1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1-c1ccncc1
Show InChI InChI=1S/C24H22N4/c1-2-6-18(7-3-1)8-9-22-21-16-20(19-10-12-25-13-11-19)24(17-23(21)27-26-22)28-14-4-5-15-28/h1-3,6-13,16-17H,4-5,14-15H2,(H,26,27)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315835
PNG
(2-(2,5-dimethoxyphenyl)-N-(6-methyl-3-styryl-1H-in...)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1
Show InChI InChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315842
PNG
(6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-amine | ...)
Show SMILES Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C19H20N4/c20-16-12-15-17(9-8-14-6-2-1-3-7-14)21-22-18(15)13-19(16)23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,20H2,(H,21,22)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315843
PNG
(5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole |...)
Show SMILES [O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-23(25)19-12-15-16(9-8-14-6-2-1-3-7-14)20-21-17(15)13-18(19)22-10-4-5-11-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)/b9-8+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315847
PNG
(CHEMBL1093877 | N-(6-methyl-3-(phenylethynyl)-1H-i...)
Show SMILES Cc1cc2[nH]nc(C#Cc3ccccc3)c2cc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C22H17N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-8,11-12,14H,13H2,1H3,(H,23,26)(H,24,25)
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315833
PNG
(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styr...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(C#N)c(C)c34)c2)CC1
Show InChI InChI=1S/C23H25N5/c1-17-20(15-24)7-9-22-23(17)21(25-26-22)8-6-18-4-3-5-19(14-18)16-28-12-10-27(2)11-13-28/h3-9,14H,10-13,16H2,1-2H3,(H,25,26)/b8-6+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315832
PNG
(3-methyl-5-(4-methyl-3-(3-((4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(-c5cc(C)cc(N)c5)c(C)c34)c2)CC1
Show InChI InChI=1S/C29H33N5/c1-20-15-24(18-25(30)16-20)26-8-10-28-29(21(26)2)27(31-32-28)9-7-22-5-4-6-23(17-22)19-34-13-11-33(3)12-14-34/h4-10,15-18H,11-14,19,30H2,1-3H3,(H,31,32)/b9-7+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315844
PNG
(CHEMBL1093879 | N-(pyridin-2-ylmethyl)-6-(pyrrolid...)
Show SMILES C(Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1)c1ccccn1
Show InChI InChI=1S/C25H25N5/c1-2-8-19(9-3-1)11-12-22-21-16-24(27-18-20-10-4-5-13-26-20)25(17-23(21)29-28-22)30-14-6-7-15-30/h1-5,8-13,16-17,27H,6-7,14-15,18H2,(H,28,29)/b12-11+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315849
PNG
(2-phenyl-N-(3-(2-phenylcyclopropyl)-1H-indazol-5-y...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
Show InChI InChI=1S/C24H21N3O/c28-23(13-16-7-3-1-4-8-16)25-18-11-12-22-21(14-18)24(27-26-22)20-15-19(20)17-9-5-2-6-10-17/h1-12,14,19-20H,13,15H2,(H,25,28)(H,26,27)
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315845
PNG
(6-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-...)
Show SMILES CN1CCN(CC1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NCc1ccccn1
Show InChI InChI=1S/C26H28N6/c1-31-13-15-32(16-14-31)26-18-24-22(17-25(26)28-19-21-9-5-6-12-27-21)23(29-30-24)11-10-20-7-3-2-4-8-20/h2-12,17-18,28H,13-16,19H2,1H3,(H,29,30)/b11-10+
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S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50315849
PNG
(2-phenyl-N-(3-(2-phenylcyclopropyl)-1H-indazol-5-y...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
Show InChI InChI=1S/C24H21N3O/c28-23(13-16-7-3-1-4-8-16)25-18-11-12-22-21(14-18)24(27-26-22)20-15-19(20)17-9-5-2-6-10-17/h1-12,14,19-20H,13,15H2,(H,25,28)(H,26,27)
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n/an/a 1.64E+3n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315852
PNG
(CHEMBL1090910 | N-(3-phenethyl-1H-indazol-5-yl)-2-...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2[nH]nc(CCc3ccccc3)c2c1
Show InChI InChI=1S/C23H21N3O/c27-23(15-18-9-5-2-6-10-18)24-19-12-14-22-20(16-19)21(25-26-22)13-11-17-7-3-1-4-8-17/h1-10,12,14,16H,11,13,15H2,(H,24,27)(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315836
PNG
(CHEMBL1091233 | N-(4-methyl-3-(3-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)c(C)c34)c2)CC1
Show InChI InChI=1S/C28H31N5OS/c1-20-24(29-27(34)18-23-7-4-16-35-23)10-11-26-28(20)25(30-31-26)9-8-21-5-3-6-22(17-21)19-33-14-12-32(2)13-15-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+
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n/an/a 1.90E+3n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50315845
PNG
(6-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-...)
Show SMILES CN1CCN(CC1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NCc1ccccn1
Show InChI InChI=1S/C26H28N6/c1-31-13-15-32(16-14-31)26-18-24-22(17-25(26)28-19-21-9-5-6-12-27-21)23(29-30-24)11-10-20-7-3-2-4-8-20/h2-12,17-18,28H,13-16,19H2,1H3,(H,29,30)/b11-10+
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n/an/a>1.00E+4n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%