Compile Data Set for Download or QSAR

Found 3731 hits of ic50 for UniProtKB: O14965   

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 (Homo sapiens (Human))	BDBM116986 (US8637532, 713) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1 |r| Show InChI InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50516349 (CHEMBL4443279) Show SMILES Fc1ccccc1Oc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1Cl Show InChI InChI=1S/C17H11ClFN7O/c18-12-9-20-17(22-16(12)27-14-4-2-1-3-13(14)19)21-11-7-5-10(6-8-11)15-23-25-26-24-15/h1-9H,(H,20,21,22)(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Eur J Med Chem 178: 341-351 (2019) Article DOI: 10.1016/j.ejmech.2019.05.071 BindingDB Entry DOI: 10.7270/Q2BZ69DR
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50516344 (CHEMBL4462759) Show SMILES COc1ccc(Oc2nc(Nc3ccc(cc3)-c3nnn[nH]3)ncc2Cl)cc1 Show InChI InChI=1S/C18H14ClN7O2/c1-27-13-6-8-14(9-7-13)28-17-15(19)10-20-18(22-17)21-12-4-2-11(3-5-12)16-23-25-26-24-16/h2-10H,1H3,(H,20,21,22)(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Eur J Med Chem 178: 341-351 (2019) Article DOI: 10.1016/j.ejmech.2019.05.071 BindingDB Entry DOI: 10.7270/Q2BZ69DR
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50516346 (CHEMBL4476212) Show SMILES Fc1ccc(Oc2nc(Nc3ccc(cc3)-c3nnn[nH]3)ncc2Cl)cc1 Show InChI InChI=1S/C17H11ClFN7O/c18-14-9-20-17(22-16(14)27-13-7-3-11(19)4-8-13)21-12-5-1-10(2-6-12)15-23-25-26-24-15/h1-9H,(H,20,21,22)(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Eur J Med Chem 178: 341-351 (2019) Article DOI: 10.1016/j.ejmech.2019.05.071 BindingDB Entry DOI: 10.7270/Q2BZ69DR
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116576 (US8637532, 268) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116550 (US8637532, 241) Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r| Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2JM2CM5
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM116811 (US8637532, 537) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CC2(F)F)c1 |r| Show InChI InChI=1S/C21H19F2N5O2/c1-11(12-4-2-5-13(8-12)28-20(30)16-9-21(16,22)23)27-19-15-7-3-6-14(18(24)29)17(15)25-10-26-19/h2-8,10-11,16H,9H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)/t11-,16?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50175305 (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=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A expressed in Escherichia coli using RRR(GLRRASLG)4R-NH2 as substrate after 40 mins in presence of...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM116749 (US8637532, 462) Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C27H24F3N5O4/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-18(14-17)34-26(37)16-8-10-19(11-9-16)39-27(28,29)30/h2-11,14-15,22H,12-13H2,1H3,(H2,31,36)(H,34,37)(H,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116622 (US8637532, 319) Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 Show InChI InChI=1S/C26H24BrN5O3/c1-35-13-12-22(32-25-21-7-3-6-20(24(28)33)23(21)29-15-30-25)17-4-2-5-19(14-17)31-26(34)16-8-10-18(27)11-9-16/h2-11,14-15,22H,12-13H2,1H3,(H2,28,33)(H,31,34)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50503744 (CHEMBL4563026) Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccccc3Cl)n2)cc1 |^1:10| Show InChI InChI=1S/C33H34ClFN7O3/c1-32(2)17-24(18-33(3,4)42(32)45)38-29(43)20-11-15-23(16-12-20)39-31-36-19-26(35)28(41-31)37-22-13-9-21(10-14-22)30(44)40-27-8-6-5-7-25(27)34/h5-16,19,24H,17-18H2,1-4H3,(H,38,43)(H,40,44)(H2,36,37,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method				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
Aurora kinase A (Homo sapiens (Human))	BDBM116931 (US8637532, 658) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5OC(F)(F)Oc5c4)c3)ncnc12 Show InChI InChI=1S/C24H17F2N5O4/c25-24(26)34-18-8-7-14(10-19(18)35-24)23(33)31-15-4-1-3-13(9-15)11-28-22-17-6-2-5-16(21(27)32)20(17)29-12-30-22/h1-10,12H,11H2,(H2,27,32)(H,31,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116925 (US8637532, 652) Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116690 (US8637532, 394) Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50175305 (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=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human Aurora A kinase expressed in Escherichia coli using Tetra-Kemptide and [gamma-33P]-ATP by liquid scintilla...				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50175305 (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=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2JM2CM5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50175305 (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=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Bioorg Med Chem Lett 26: 3067-72 (2016) Article DOI: 10.1016/j.bmcl.2016.05.017 BindingDB Entry DOI: 10.7270/Q20K2BGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM116548 (US8637532, 239) Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r| Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116623 (US8637532, 320) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116938 (US8637532, 665) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CCC(C=C4)N4CCOCC4)c3)ncnc12 |c:23,t:19| Show InChI InChI=1S/C27H28N6O3/c28-25(34)22-5-2-6-23-24(22)30-17-31-26(23)29-16-18-3-1-4-20(15-18)32-27(35)19-7-9-21(10-8-19)33-11-13-36-14-12-33/h1-9,15,17,21H,10-14,16H2,(H2,28,34)(H,32,35)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116944 (US8637532, 671) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12 Show InChI InChI=1S/C23H18ClN5O2/c24-16-9-7-15(8-10-16)23(31)29-17-4-1-3-14(11-17)12-26-22-19-6-2-5-18(21(25)30)20(19)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116579 (US8637532, 271) Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(C)(C)C)c1 Show InChI InChI=1S/C25H27N7O2/c1-14(29-23-18-10-6-9-17(22(26)33)21(18)27-13-28-23)15-7-5-8-16(11-15)30-24(34)19-12-20(32-31-19)25(2,3)4/h5-14H,1-4H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116987 (US8637532, 714) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cc(Cl)cc4F)c3)ncnc12 Show InChI InChI=1S/C23H16ClF2N5O2/c24-13-8-17(25)19(18(26)9-13)23(33)31-14-4-1-3-12(7-14)10-28-22-16-6-2-5-15(21(27)32)20(16)29-11-30-22/h1-9,11H,10H2,(H2,27,32)(H,31,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116652 (US8637532, 352) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C#N)c1 |r| Show InChI InChI=1S/C23H19N7O/c1-14(29-23-19-7-3-6-18(22(25)31)21(19)27-13-28-23)16-4-2-5-17(11-16)30-20-10-15(12-24)8-9-26-20/h2-11,13-14H,1H3,(H2,25,31)(H,26,30)(H,27,28,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116954 (US8637532, 681) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)c3)ncnc12 Show InChI InChI=1S/C24H17ClF3N5O2/c25-19-8-7-14(10-18(19)24(26,27)28)23(35)33-15-4-1-3-13(9-15)11-30-22-17-6-2-5-16(21(29)34)20(17)31-12-32-22/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116639 (US8637532, 338) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O Show InChI InChI=1S/C26H25N5O4/c1-35-19-10-8-16(9-11-19)26(34)30-18-5-2-4-17(14-18)22(12-13-32)31-25-21-7-3-6-20(24(27)33)23(21)28-15-29-25/h2-11,14-15,22,32H,12-13H2,1H3,(H2,27,33)(H,30,34)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116555 (US8637532, 246) Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(C)C(F)=C2)c1 |c:32,t:26| Show InChI InChI=1S/C25H24FN5O2/c1-14-9-10-17(12-21(14)26)25(33)31-18-6-3-5-16(11-18)15(2)30-24-20-8-4-7-19(23(27)32)22(20)28-13-29-24/h3-8,10-15H,9H2,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116747 (US8637532, 459) Show SMILES COCCN(C)c1ccc(cn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C26H27N7O3/c1-33(11-12-36-2)22-10-9-18(15-28-22)26(35)32-19-6-3-5-17(13-19)14-29-25-21-8-4-7-20(24(27)34)23(21)30-16-31-25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,27,34)(H,32,35)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12407 (3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...) Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 49: 4805-8 (2006) Article DOI: 10.1021/jm060522a BindingDB Entry DOI: 10.7270/Q2QZ29KW
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116812 (US8637532, 538) Show SMILES NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(n[nH]4)C4CC4)c3)ncnc12 Show InChI InChI=1S/C25H27N7O3/c26-23(34)17-5-2-6-18-22(17)27-13-28-24(18)30-19(9-10-33)15-3-1-4-16(11-15)29-25(35)21-12-20(31-32-21)14-7-8-14/h1-6,11-14,19,25,29,33,35H,7-10H2,(H2,26,34)(H,31,32)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116598 (US8637532, 292) Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12407 (3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...) Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...				Bioorg Med Chem Lett 16: 1320-23 (2006) Article DOI: 10.1016/j.bmcl.2005.11.053 BindingDB Entry DOI: 10.7270/Q2WH2N7M
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116922 (US8637532, 649) Show SMILES Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50503745 (CHEMBL4460717) Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3cccc(Cl)c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-10-14-24(15-11-21)39-31-35-19-27(41(45)46)28(40-31)36-23-12-8-20(9-13-23)29(43)37-25-7-5-6-22(34)16-25/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method				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
Aurora kinase A (Homo sapiens (Human))	BDBM116988 (US8637532, 715) Show SMILES COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c(F)c1 Show InChI InChI=1S/C24H19F2N5O3/c1-34-15-9-18(25)20(19(26)10-15)24(33)31-14-5-2-4-13(8-14)11-28-23-17-7-3-6-16(22(27)32)21(17)29-12-30-23/h2-10,12H,11H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116571 (US8637532, 263) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1 |r| Show InChI InChI=1S/C25H19F4N5O2/c1-13(33-23-18-7-3-6-17(22(30)35)21(18)31-12-32-23)14-4-2-5-16(10-14)34-24(36)19-11-15(25(27,28)29)8-9-20(19)26/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116390 (US8637532, 71) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116932 (US8637532, 659) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(nc4)C(F)(F)F)c3)ncnc12 Show InChI InChI=1S/C23H17F3N6O2/c24-23(25,26)18-8-7-14(11-28-18)22(34)32-15-4-1-3-13(9-15)10-29-21-17-6-2-5-16(20(27)33)19(17)30-12-31-21/h1-9,11-12H,10H2,(H2,27,33)(H,32,34)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116989 (US8637532, 716) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cc(O)cc23)C(N)=O)c1 Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-5-15(6-8-18)24(32)29-16-4-2-3-14(9-16)12-26-23-20-11-17(30)10-19(22(25)31)21(20)27-13-28-23/h2-11,13,30H,12H2,1H3,(H2,25,31)(H,29,32)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116803 (US8637532, 525) Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(H2,29,34)(H,33,35)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116918 (US8637532, 645) Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C23H23N7O2/c1-13(2)18-10-19(30-29-18)23(32)28-15-6-3-5-14(9-15)11-25-22-17-8-4-7-16(21(24)31)20(17)26-12-27-22/h3-10,12-13H,11H2,1-2H3,(H2,24,31)(H,28,32)(H,29,30)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116573 (US8637532, 265) Show SMILES CN(C)CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 Show InChI InChI=1S/C27H27BrN6O2/c1-34(2)14-13-23(33-26-22-8-4-7-21(25(29)35)24(22)30-16-31-26)18-5-3-6-20(15-18)32-27(36)17-9-11-19(28)12-10-17/h3-12,15-16,23H,13-14H2,1-2H3,(H2,29,35)(H,32,36)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116672 (US8637532, 374) Show SMILES COc1ccc(cc1F)C(=O)Nc1cc(ccc1F)[C@@H](C)Nc1nccc2c(cccc12)C(N)=O |r| Show InChI InChI=1S/C26H22F2N4O3/c1-14(31-25-19-5-3-4-18(24(29)33)17(19)10-11-30-25)15-6-8-20(27)22(13-15)32-26(34)16-7-9-23(35-2)21(28)12-16/h3-14H,1-2H3,(H2,29,33)(H,30,31)(H,32,34)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116758 (US8637532, 472) Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2CCCC2)c1 |r| Show InChI InChI=1S/C23H25N5O2/c1-14(16-8-4-9-17(12-16)28-23(30)15-6-2-3-7-15)27-22-19-11-5-10-18(21(24)29)20(19)25-13-26-22/h4-5,8-15H,2-3,6-7H2,1H3,(H2,24,29)(H,28,30)(H,25,26,27)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116559 (US8637532, 250) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12 Show InChI InChI=1S/C23H17Cl2N5O2/c24-14-7-8-16(19(25)10-14)23(32)30-15-4-1-3-13(9-15)11-27-22-18-6-2-5-17(21(26)31)20(18)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116926 (US8637532, 653) Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(cc4F)C(F)(F)F)c3)ncnc12 Show InChI InChI=1S/C24H17F4N5O2/c25-19-10-14(24(26,27)28)7-8-16(19)23(35)33-15-4-1-3-13(9-15)11-30-22-18-6-2-5-17(21(29)34)20(18)31-12-32-22/h1-10,12H,11H2,(H2,29,34)(H,33,35)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116730 (US8637532, 440) Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O |r| Show InChI InChI=1S/C25H22FN5O3/c1-14(30-24-19-8-4-7-18(23(27)32)22(19)28-13-29-24)15-5-3-6-17(11-15)31-25(33)16-9-10-21(34-2)20(26)12-16/h3-14H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM116928 (US8637532, 655) Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H23N5O3/c1-2-33-19-11-9-17(10-12-19)25(32)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)31)22(21)28-15-29-24/h3-13,15H,2,14H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50503748 (CHEMBL4440617) Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3cccc(-[#8])c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method				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

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