Compile Data Set for Download or QSAR

Found 65 hits of ic50 data for polymerid = 1526   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Mus musculus (mouse))	BDBM14192 (3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...) Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1 Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14208 (3-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-...) Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1 Show InChI InChI=1S/C18H13N5O2/c24-17(25)12-4-3-5-14(10-12)21-18-20-11-13-7-9-23(16(13)22-18)15-6-1-2-8-19-15/h1-11H,(H,24,25)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM14209 (4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1 Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM50277545 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14201 (N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenyl-7H-p...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1 Show InChI InChI=1S/C23H24N6/c1-27-12-14-28(15-13-27)21-9-5-6-19(16-21)25-23-24-17-18-10-11-29(22(18)26-23)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse Aurora A kinase expressed in Sf9 cells using Biotin-GLRRASLG as substrate in presence of [gamma33]P-ATP by FlashPlate...				Bioorg Med Chem 27: 65-78 (2019) Article DOI: 10.1016/j.bmc.2018.11.006 BindingDB Entry DOI: 10.7270/Q2PN98WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant mouse Aurora A expressed in Sf9 cells using biotin-GLRRASLG as peptide substrate by [gamma-33S]ATP binding assay				Eur J Med Chem 78: 65-71 (2014) Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant mouse GST-tagged Aurora A expressed in insect Sf9 cells using Biotin-GLRRASLG as substrate in presence of [gamma33P]ATP by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112108 BindingDB Entry DOI: 10.7270/Q28S4TN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM26333 (1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)ph...) Show SMILES FC(F)(F)c1cc(CN2CCCC2)cc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C24H24F3N7OS2/c25-24(26,27)16-9-15(13-34-6-1-2-7-34)10-17(11-16)32-22(35)33-23-29-12-18(37-23)3-5-28-21-20-19(4-8-36-20)30-14-31-21/h4,8-12,14H,1-3,5-7,13H2,(H,28,30,31)(H2,29,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of mouse recombinant Aurora A kinase expressed in insect Sf9 cells by radioactive flashplate assay				Proc Natl Acad Sci USA 104: 4106-11 (2007) Article DOI: 10.1073/pnas.0608798104 BindingDB Entry DOI: 10.7270/Q25B03CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM14207 (N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-2-...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1 Show InChI InChI=1S/C22H23N7/c1-27-11-13-28(14-12-27)19-6-4-5-18(15-19)25-22-24-16-17-8-10-29(21(17)26-22)20-7-2-3-9-23-20/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14203 (7-(3-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)p...) Show SMILES COc1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C24H26N6O/c1-28-11-13-29(14-12-28)20-6-3-5-19(15-20)26-24-25-17-18-9-10-30(23(18)27-24)21-7-4-8-22(16-21)31-2/h3-10,15-17H,11-14H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14191 (N-{7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}-4...) Show SMILES COCCN1CCN(CC1)Nc1ncc2ccn(C3CCCCC3)c2n1 Show InChI InChI=1S/C19H30N6O/c1-26-14-13-23-9-11-24(12-10-23)22-19-20-15-16-7-8-25(18(16)21-19)17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14197 (7-(3-methanesulfonylphenyl)-N-[4-(4-methylpiperazi...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1 Show InChI InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26326 (1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...) Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM26322 (1-(3-methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...) Show SMILES Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C19H18N6OS2/c1-12-3-2-4-13(9-12)24-18(26)25-19-21-10-14(28-19)5-7-20-17-16-15(6-8-27-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14200 (7-(3-methanesulfonylphenyl)-N-[3-(4-methylpiperazi...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)c1 Show InChI InChI=1S/C24H26N6O2S/c1-28-11-13-29(14-12-28)20-6-3-5-19(15-20)26-24-25-17-18-9-10-30(23(18)27-24)21-7-4-8-22(16-21)33(2,31)32/h3-10,15-17H,11-14H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM50097413 (CHEMBL3586473) Show SMILES COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 |t:10| Show InChI InChI=1S/C26H18ClFN4O3/c1-35-21-4-2-3-20(28)22(21)24-19-11-16(27)7-10-18(19)23-15(12-29-24)13-30-26(32-23)31-17-8-5-14(6-9-17)25(33)34/h2-11,13H,12H2,1H3,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14205 (3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(N)=O)c3n2)c1 Show InChI InChI=1S/C24H25N7O/c1-29-10-12-30(13-11-29)20-6-3-5-19(15-20)27-24-26-16-18-8-9-31(23(18)28-24)21-7-2-4-17(14-21)22(25)32/h2-9,14-16H,10-13H2,1H3,(H2,25,32)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26330 (1-(3-chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]...) Show SMILES Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl Show InChI InChI=1S/C18H14ClFN6OS2/c19-12-7-10(1-2-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14193 (4-[4-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-y...) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1 Show InChI InChI=1S/C22H27N5O2S/c28-30(29)14-12-26(13-15-30)19-8-6-18(7-9-19)24-22-23-16-17-10-11-27(21(17)25-22)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14199 (N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccnc4)c3n2)c1 Show InChI InChI=1S/C22H23N7/c1-27-10-12-28(13-11-27)19-5-2-4-18(14-19)25-22-24-15-17-7-9-29(21(17)26-22)20-6-3-8-23-16-20/h2-9,14-16H,10-13H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14196 (N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-3-...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc1 Show InChI InChI=1S/C22H23N7/c1-27-11-13-28(14-12-27)19-6-4-18(5-7-19)25-22-24-15-17-8-10-29(21(17)26-22)20-3-2-9-23-16-20/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14202 (3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)c1 Show InChI InChI=1S/C24H23N7/c1-29-10-12-30(13-11-29)21-6-3-5-20(15-21)27-24-26-17-19-8-9-31(23(19)28-24)22-7-2-4-18(14-22)16-25/h2-9,14-15,17H,10-13H2,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14198 (7-(2,3-dihydro-1H-inden-2-yl)-N-[4-(4-methylpipera...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4Cc5ccccc5C4)c3n2)cc1 Show InChI InChI=1S/C26H28N6/c1-30-12-14-31(15-13-30)23-8-6-22(7-9-23)28-26-27-18-21-10-11-32(25(21)29-26)24-16-19-4-2-3-5-20(19)17-24/h2-11,18,24H,12-17H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14195 (7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)p...) Show SMILES COc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26315 (3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM26325 (1-(3-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...) Show SMILES Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C18H15FN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14204 (N-[3-(4-methylpiperazin-1-yl)phenyl]-7-[3-(propan-...) Show SMILES CC(C)c1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30N6/c1-19(2)20-6-4-9-24(16-20)32-11-10-21-18-27-26(29-25(21)32)28-22-7-5-8-23(17-22)31-14-12-30(3)13-15-31/h4-11,16-19H,12-15H2,1-3H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26331 (1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-...) Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12 Show InChI InChI=1S/C20H17N7OS2/c28-19(26-14-3-1-2-12-4-7-21-16(12)14)27-20-23-10-13(30-20)5-8-22-18-17-15(6-9-29-17)24-11-25-18/h1-4,6-7,9-11,21H,5,8H2,(H,22,24,25)(H2,23,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Mus musculus (mouse))	BDBM50097414 (CHEMBL3586468) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4ccccc4F)c4cc(Cl)ccc4-c3n2)cc1 |t:13| Show InChI InChI=1S/C25H16ClFN4O2/c26-16-7-10-18-20(11-16)23(19-3-1-2-4-21(19)27)28-12-15-13-29-25(31-22(15)18)30-17-8-5-14(6-9-17)24(32)33/h1-11,13H,12H2,(H,32,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26327 (1-(4-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...) Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1 Show InChI InChI=1S/C18H15ClN6OS2/c19-11-1-3-12(4-2-11)24-17(26)25-18-21-9-13(28-18)5-7-20-16-15-14(6-8-27-15)22-10-23-16/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14210 (4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14194 (7-{bicyclo[2.2.1]heptan-2-yl}-N-[4-(4-methylpipera...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CC5CCC4C5)c3n2)cc1 |THB:18:19:25:23.22| Show InChI InChI=1S/C24H30N6/c1-28-10-12-29(13-11-28)21-6-4-20(5-7-21)26-24-25-16-19-8-9-30(23(19)27-24)22-15-17-2-3-18(22)14-17/h4-9,16-18,22H,2-3,10-15H2,1H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26324 (1-(3-ethynylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidi...) Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(c1)C#C Show InChI InChI=1S/C20H16N6OS2/c1-2-13-4-3-5-14(10-13)25-19(27)26-20-22-11-15(29-20)6-8-21-18-17-16(7-9-28-17)23-12-24-18/h1,3-5,7,9-12H,6,8H2,(H,21,23,24)(H2,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14189 (7-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1 Show InChI InChI=1S/C23H30N6/c1-27-13-15-28(16-14-27)20-9-7-19(8-10-20)25-23-24-17-18-11-12-29(22(18)26-23)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14190 (7-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-7H-pyrro...) Show SMILES C1CCC(CC1)n1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C22H27N5O/c1-2-4-20(5-3-1)27-11-10-17-16-23-22(25-21(17)27)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h6-11,16,20H,1-5,12-15H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26323 (1-(3-methoxyphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidi...) Show SMILES COc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C19H18N6O2S2/c1-27-13-4-2-3-12(9-13)24-18(26)25-19-21-10-14(29-19)5-7-20-17-16-15(6-8-28-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26320 (1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...) Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1 Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26334 (1-{3-[2-(azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thie...) Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1 Show InChI InChI=1S/C23H25N7OS2/c31-22(28-17-4-1-3-16(13-17)6-11-30-9-2-10-30)29-23-25-14-18(33-23)5-8-24-21-20-19(7-12-32-20)26-15-27-21/h1,3-4,7,12-15H,2,5-6,8-11H2,(H,24,26,27)(H2,25,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26329 (1-(3,4-dichlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrim...) Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl Show InChI InChI=1S/C18H14Cl2N6OS2/c19-12-2-1-10(7-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26314 (3-[1-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C18H15F3N8OS/c19-18(20,21)11-2-1-3-12(8-11)25-17(30)26-14-9-29(28-27-14)6-5-22-16-15-13(4-7-31-15)23-10-24-16/h1-4,7-10H,5-6H2,(H,22,23,24)(H2,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26332 (1-cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-yla...) Show SMILES O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1 Show InChI InChI=1S/C18H22N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h7,9-12H,1-6,8H2,(H,19,21,22)(H2,20,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26328 (1-(2-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...) Show SMILES Clc1ccccc1NC(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1 Show InChI InChI=1S/C18H15ClN6OS2/c19-12-3-1-2-4-13(12)24-17(26)25-18-21-9-11(28-18)5-7-20-16-15-14(6-8-27-15)22-10-23-16/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM14206 (N-cyclopentyl-3-(2-{[3-(4-methylpiperazin-1-yl)phe...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)c1 Show InChI InChI=1S/C29H33N7O/c1-34-14-16-35(17-15-34)25-10-5-9-24(19-25)32-29-30-20-22-12-13-36(27(22)33-29)26-11-4-6-21(18-26)28(37)31-23-7-2-3-8-23/h4-6,9-13,18-20,23H,2-3,7-8,14-17H2,1H3,(H,31,37)(H,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26313 (3-[1-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)cn2)c1 Show InChI InChI=1S/C19H16F3N7OS/c20-19(21,22)12-2-1-3-13(8-12)27-18(30)28-15-9-29(11-26-15)6-5-23-17-16-14(4-7-31-16)24-10-25-17/h1-4,7-11H,5-6H2,(H,23,24,25)(H2,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26311 (3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)ph...) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1 Show InChI InChI=1S/C22H18F3N5OS/c23-22(24,25)15-2-1-3-17(12-15)30-21(31)29-16-6-4-14(5-7-16)8-10-26-20-19-18(9-11-32-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM50097418 (CHEMBL41816) Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6| Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair

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