Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 50030285   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50277679 (CHEMBL484006 | N-(4-(4-(4-tert-butylpiperazin-1-yl...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B by time dependent kinetic study				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293686 (CHEMBL559900 | N-(5-methyl-1H-pyrazol-3-yl)-2-(nap...) Show SMILES Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C22H17N5S/c1-14-12-20(27-26-14)24-21-18-8-4-5-9-19(18)23-22(25-21)28-17-11-10-15-6-2-3-7-16(15)13-17/h2-13H,1H3,(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293689 (CHEMBL549668 | N-methyl-N-(4-(4-(5-methyl-1H-pyraz...) Show SMILES CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C21H20N6OS/c1-13-12-19(26-25-13)23-20-17-6-4-5-7-18(17)22-21(24-20)29-16-10-8-15(9-11-16)27(3)14(2)28/h4-12H,1-3H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293690 (CHEMBL564941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C21H20N6OS/c1-3-19(28)22-14-8-10-15(11-9-14)29-21-23-17-7-5-4-6-16(17)20(25-21)24-18-12-13(2)26-27-18/h4-12H,3H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50277640 (CHEMBL485351 | N-(4-(4-(4-ethylpiperazin-1-yl)-6-(...) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)CC)cc2)n1 Show InChI InChI=1S/C23H30N8OS/c1-4-22(32)24-17-6-8-18(9-7-17)33-23-26-19(25-20-14-16(3)28-29-20)15-21(27-23)31-12-10-30(5-2)11-13-31/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293669 (CHEMBL564449 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C22H20N6OS/c1-13-12-19(28-27-13)25-20-17-4-2-3-5-18(17)24-22(26-20)30-16-10-8-15(9-11-16)23-21(29)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293699 (CHEMBL554941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H22N6OS/c1-3-22(30)24-17-9-11-18(12-10-17)31-23-25-19(16-7-5-4-6-8-16)14-20(27-23)26-21-13-15(2)28-29-21/h4-14H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293671 (CHEMBL561421 | N-(4-(4-(5-cyclopropyl-1H-pyrazol-3...) Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1 Show InChI InChI=1S/C22H20N6OS/c1-13(29)23-15-8-10-16(11-9-15)30-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277678 (CHEMBL485186 | N-(4-(4-(4-cyclopropylpiperazin-1-y...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C2CC2)cc1 Show InChI InChI=1S/C24H30N8OS/c1-3-23(33)25-17-4-8-19(9-5-17)34-24-27-20(26-21-14-16(2)29-30-21)15-22(28-24)32-12-10-31(11-13-32)18-6-7-18/h4-5,8-9,14-15,18H,3,6-7,10-13H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277679 (CHEMBL484006 | N-(4-(4-(4-tert-butylpiperazin-1-yl...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277639 (CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50277586 (CHEMBL484951 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCCCC2)cc1 Show InChI InChI=1S/C22H27N7OS/c1-3-21(30)23-16-7-9-17(10-8-16)31-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)29-11-5-4-6-12-29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277637 (CHEMBL482778 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C21H25N7O2S/c1-3-20(29)22-15-4-6-16(7-5-15)31-21-24-17(23-18-12-14(2)26-27-18)13-19(25-21)28-8-10-30-11-9-28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase B (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B by time dependent kinetic study				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50293682 (2-(3,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-15(12)21-18(23-17)26-11-6-7-13(19)14(20)9-11/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293680 (2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293687 (CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293693 (CHEMBL557279 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H20N6OS/c1-14-12-21(28-27-14)25-20-13-19(16-6-4-3-5-7-16)24-22(26-20)30-18-10-8-17(9-11-18)23-15(2)29/h3-13H,1-2H3,(H,23,29)(H2,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293698 (CHEMBL563682 | N-(4-(4-(azetidin-1-yl)-6-(5-methyl...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCC2)cc1 Show InChI InChI=1S/C20H23N7OS/c1-3-19(28)21-14-5-7-15(8-6-14)29-20-23-16(22-17-11-13(2)25-26-17)12-18(24-20)27-9-4-10-27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,28)(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293700 (CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293679 (2-(2,3-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...) Show SMILES Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-7-13(11)21-18(23-17)26-14-8-4-6-12(19)16(14)20/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277638 (CHEMBL482779 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCNCC2)cc1 Show InChI InChI=1S/C21H26N8OS/c1-3-20(30)23-15-4-6-16(7-5-15)31-21-25-17(24-18-12-14(2)27-28-18)13-19(26-21)29-10-8-22-9-11-29/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293697 (CHEMBL557682 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-6-8-17(9-7-16)31-22-25-18(15-5-4-10-23-13-15)12-19(27-22)26-20-11-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293695 (CHEMBL561617 | N-(4-(4-cyclopropyl-6-(5-methyl-1H-...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C2CC2)cc1 Show InChI InChI=1S/C20H22N6OS/c1-3-19(27)21-14-6-8-15(9-7-14)28-20-22-16(13-4-5-13)11-17(24-20)23-18-10-12(2)25-26-18/h6-11,13H,3-5H2,1-2H3,(H,21,27)(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50277585 (CHEMBL484950 | N-(4-(4-(3-methyl-1H-pyrazol-5-ylam...) Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C20H18N6OS/c1-12-11-18(26-25-12)23-19-16-5-3-4-6-17(16)22-20(24-19)28-15-9-7-14(8-10-15)21-13(2)27/h3-11H,1-2H3,(H,21,27)(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293677 (2-(3-chlorophenylthio)-N-(5-methyl-1H-pyrazol-3-yl...) Show SMILES Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H14ClN5S/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)25-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293681 (2-(2,6-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...) Show SMILES Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-8-14(11)21-18(23-17)26-16-12(19)6-4-7-13(16)20/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293676 (2-(2-chlorophenylthio)-N-(5-methyl-1H-pyrazol-3-yl...) Show SMILES Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H14ClN5S/c1-11-10-16(24-23-11)21-17-12-6-2-4-8-14(12)20-18(22-17)25-15-9-5-3-7-13(15)19/h2-10H,1H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293694 (CHEMBL560556 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1 Show InChI InChI=1S/C18H20N6OS/c1-4-17(25)20-13-5-7-14(8-6-13)26-18-19-11(2)9-15(22-18)21-16-10-12(3)23-24-16/h5-10H,4H2,1-3H3,(H,20,25)(H2,19,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50293678 (2-(4-chlorophenylthio)-N-(5-methyl-1H-pyrazol-3-yl...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H14ClN5S/c1-11-10-16(24-23-11)21-17-14-4-2-3-5-15(14)20-18(22-17)25-13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293680 (2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277586 (CHEMBL484951 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCCCC2)cc1 Show InChI InChI=1S/C22H27N7OS/c1-3-21(30)23-16-7-9-17(10-8-16)31-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)29-11-5-4-6-12-29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293688 (CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293684 (2-(4-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-y...) Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)26-14-9-7-13(25-2)8-10-14/h3-11H,1-2H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277678 (CHEMBL485186 | N-(4-(4-(4-cyclopropylpiperazin-1-y...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C2CC2)cc1 Show InChI InChI=1S/C24H30N8OS/c1-3-23(33)25-17-4-8-19(9-5-17)34-24-27-20(26-21-14-16(2)29-30-21)15-22(28-24)32-12-10-31(11-13-32)18-6-7-18/h4-5,8-9,14-15,18H,3,6-7,10-13H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293696 (CHEMBL565183 | N-(4-(4-tert-butyl-6-(5-methyl-1H-p...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)C(C)(C)C)cc1 Show InChI InChI=1S/C21H26N6OS/c1-6-19(28)22-14-7-9-15(10-8-14)29-20-23-16(21(3,4)5)12-17(25-20)24-18-11-13(2)26-27-18/h7-12H,6H2,1-5H3,(H,22,28)(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase C (Homo sapiens (Human))	BDBM50277585 (CHEMBL484950 | N-(4-(4-(3-methyl-1H-pyrazol-5-ylam...) Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C20H18N6OS/c1-12-11-18(26-25-12)23-19-16-5-3-4-6-17(16)22-20(24-19)28-15-9-7-14(8-10-15)21-13(2)27/h3-11H,1-2H3,(H,21,27)(H2,22,23,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-C				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277679 (CHEMBL484006 | N-(4-(4-(4-tert-butylpiperazin-1-yl...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277637 (CHEMBL482778 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C21H25N7O2S/c1-3-20(29)22-15-4-6-16(7-5-15)31-21-24-17(23-18-12-14(2)26-27-18)13-19(25-21)28-8-10-30-11-9-28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293682 (2-(3,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-15(12)21-18(23-17)26-11-6-7-13(19)14(20)9-11/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50293671 (CHEMBL561421 | N-(4-(4-(5-cyclopropyl-1H-pyrazol-3...) Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1 Show InChI InChI=1S/C22H20N6OS/c1-13(29)23-15-8-10-16(11-9-15)30-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293685 (2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol...) Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC Show InChI InChI=1S/C20H19N5O2S/c1-12-10-18(25-24-12)22-19-14-6-4-5-7-15(14)21-20(23-19)28-13-8-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293689 (CHEMBL549668 | N-methyl-N-(4-(4-(5-methyl-1H-pyraz...) Show SMILES CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C21H20N6OS/c1-13-12-19(26-25-13)23-20-17-6-4-5-7-18(17)22-21(24-20)29-16-10-8-15(9-11-16)27(3)14(2)28/h4-12H,1-3H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293673 (CHEMBL550825 | N2-methyl-N4-(5-methyl-1H-pyrazol-3...) Show SMILES CN(c1ccccc1)c1nc(Nc2cc(C)n[nH]2)c2ccccc2n1 Show InChI InChI=1S/C19H18N6/c1-13-12-17(24-23-13)21-18-15-10-6-7-11-16(15)20-19(22-18)25(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293692 (CHEMBL562497 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...) Show SMILES CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1 Show InChI InChI=1S/C17H18N6OS/c1-10-8-15(20-16-9-11(2)22-23-16)21-17(18-10)25-14-6-4-13(5-7-14)19-12(3)24/h4-9H,1-3H3,(H,19,24)(H2,18,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50277638 (CHEMBL482779 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCNCC2)cc1 Show InChI InChI=1S/C21H26N8OS/c1-3-20(30)23-15-4-6-16(7-5-15)31-21-25-17(24-18-12-14(2)27-28-18)13-19(26-21)29-10-8-22-9-11-29/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277639 (CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50293675 (CHEMBL549322 | N-(5-methyl-1H-pyrazol-3-yl)-2-(phe...) Show SMILES Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H15N5S/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 128 total )  |  Next  |  Last  >>

Jump to: