Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50044120   

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))	BDBM50004231 (CHEMBL3237167) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H25N9O2S/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-14-3-5-15(6-4-14)31(20,29)30/h3-6,11-12H,7-10H2,1-2H3,(H2,20,29,30)(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004234 (CHEMBL3237169) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl Show InChI InChI=1S/C21H25ClN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004230 (CHEMBL3237166) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H23N9/c1-14-11-18(27-26-14)23-17-12-19(29-9-7-28(2)8-10-29)25-20(24-17)22-16-5-3-15(13-21)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H3,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004222 (CHEMBL3237187) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H23ClN8/c1-13-10-17(26-25-13)22-16-12-18(28-8-6-27(2)7-9-28)24-19(23-16)21-15-5-3-4-14(20)11-15/h3-5,10-12H,6-9H2,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004232 (CHEMBL3237168) Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1 Show InChI InChI=1S/C18H20N8O3/c1-12-10-16(24-23-12)20-15-11-17(25-6-8-29-9-7-25)22-18(21-15)19-13-2-4-14(5-3-13)26(27)28/h2-5,10-11H,6-9H2,1H3,(H3,19,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004228 (CHEMBL3237164) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C19H23N9O2/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)20-14-3-5-15(6-4-14)28(29)30/h3-6,11-12H,7-10H2,1-2H3,(H3,20,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004223 (CHEMBL3237188) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C19H23ClN8/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004229 (CHEMBL3237165) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C19H23N9O2/c1-13-10-17(25-24-13)21-16-12-18(27-8-6-26(2)7-9-27)23-19(22-16)20-14-4-3-5-15(11-14)28(29)30/h3-5,10-12H,6-9H2,1-2H3,(H3,20,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004219 (CHEMBL3237184) Show SMILES COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1 Show InChI InChI=1S/C20H26N8O/c1-14-11-18(26-25-14)22-17-13-19(28-9-7-27(2)8-10-28)24-20(23-17)21-15-5-4-6-16(12-15)29-3/h4-6,11-13H,7-10H2,1-3H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004216 (CHEMBL3237181) Show SMILES CC(C)OC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H30N8O2/c1-15(2)33-22(32)17-5-7-18(8-6-17)24-23-26-19(25-20-13-16(3)28-29-20)14-21(27-23)31-11-9-30(4)10-12-31/h5-8,13-15H,9-12H2,1-4H3,(H3,24,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004209 (CHEMBL3237174) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C20H23N7O3/c1-13-11-17(26-25-13)22-16-12-18(27-7-9-30-10-8-27)24-20(23-16)21-15-5-3-14(4-6-15)19(28)29-2/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004215 (CHEMBL3237180) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C(O)=O)n1 Show InChI InChI=1S/C20H24N8O2/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-20(23-16)21-15-5-3-14(4-6-15)19(29)30/h3-6,11-12H,7-10H2,1-2H3,(H,29,30)(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004220 (CHEMBL3237185) Show SMILES COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C20H26N8O/c1-14-12-18(26-25-14)22-17-13-19(28-10-8-27(2)9-11-28)24-20(23-17)21-15-4-6-16(29-3)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004211 (CHEMBL3237176) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H26N8O4S/c1-14-12-18(27-26-14)23-17-13-19(28-8-10-29(11-9-28)34(3,31)32)25-21(24-17)22-16-6-4-15(5-7-16)20(30)33-2/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004207 (CHEMBL3237172) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C21H26N8O2/c1-14-12-18(27-26-14)23-17-13-19(29-10-8-28(2)9-11-29)25-21(24-17)22-16-6-4-15(5-7-16)20(30)31-3/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004214 (CHEMBL3237179) Show SMILES COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C22H28N8O3/c1-15-13-20(29-28-15)25-19-14-18(23-7-8-30-9-11-33-12-10-30)26-22(27-19)24-17-5-3-16(4-6-17)21(31)32-2/h3-6,13-14H,7-12H2,1-2H3,(H4,23,24,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004237 (CHEMBL3237171) Show SMILES COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C21H25N7O3/c1-14-11-18(27-26-14)23-17-12-19(28-7-9-31-10-8-28)25-21(24-17)22-13-15-3-5-16(6-4-15)20(29)30-2/h3-6,11-12H,7-10,13H2,1-2H3,(H3,22,23,24,25,26,27)	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	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004217 (CHEMBL3237182) Show SMILES CNC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C21H27N9O/c1-14-12-18(28-27-14)24-17-13-19(30-10-8-29(3)9-11-30)26-21(25-17)23-16-6-4-15(5-7-16)20(31)22-2/h4-7,12-13H,8-11H2,1-3H3,(H,22,31)(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004225 (CHEMBL3237190) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H31N9O/c1-17-15-21(29-28-17)25-20-16-22(32-9-7-30(2)8-10-32)27-23(26-20)24-18-3-5-19(6-4-18)31-11-13-33-14-12-31/h3-6,15-16H,7-14H2,1-2H3,(H3,24,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004210 (CHEMBL3237175) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2C[C@H](C)O[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C22H27N7O3/c1-13-9-19(28-27-13)24-18-10-20(29-11-14(2)32-15(3)12-29)26-22(25-18)23-17-7-5-16(6-8-17)21(30)31-4/h5-10,14-15H,11-12H2,1-4H3,(H3,23,24,25,26,27,28)/t14-,15+	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	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004224 (CHEMBL3237189) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C21H27N9O/c1-14-12-19(28-27-14)24-18-13-20(30-10-8-29(3)9-11-30)26-21(25-18)23-17-6-4-16(5-7-17)22-15(2)31/h4-7,12-13H,8-11H2,1-3H3,(H,22,31)(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004236 (CHEMBL3237170) Show SMILES COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8O2/c1-15-12-19(28-27-15)24-18-13-20(30-10-8-29(2)9-11-30)26-22(25-18)23-14-16-4-6-17(7-5-16)21(31)32-3/h4-7,12-13H,8-11,14H2,1-3H3,(H3,23,24,25,26,27,28)	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	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004208 (CHEMBL3237173) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCNCC2)cc1 Show InChI InChI=1S/C20H24N8O2/c1-13-11-17(27-26-13)23-16-12-18(28-9-7-21-8-10-28)25-20(24-16)22-15-5-3-14(4-6-15)19(29)30-2/h3-6,11-12,21H,7-10H2,1-2H3,(H3,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004221 (CHEMBL3237186) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccccc2Cl)n1 Show InChI InChI=1S/C19H23ClN8/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-15-6-4-3-5-14(15)20/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004218 (CHEMBL3237183) Show SMILES COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H26N8O/c1-14-12-18(26-25-14)22-17-13-19(28-10-8-27(2)9-11-28)24-20(23-17)21-15-6-4-5-7-16(15)29-3/h4-7,12-13H,8-11H2,1-3H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004213 (CHEMBL3237178) Show SMILES COC(=O)c1ccc(Nc2nc(NCCN3CCCCC3)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C23H30N8O2/c1-16-14-21(30-29-16)26-20-15-19(24-10-13-31-11-4-3-5-12-31)27-23(28-20)25-18-8-6-17(7-9-18)22(32)33-2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H4,24,25,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004226 (CHEMBL3237163) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CC(=O)N(CC2=O)C2CC2)n1 Show InChI InChI=1S/C26H32N10O2/c1-17-13-22(32-31-17)28-21-14-23(34-11-9-33(2)10-12-34)30-26(29-21)27-18-3-5-19(6-4-18)35-15-25(38)36(16-24(35)37)20-7-8-20/h3-6,13-14,20H,7-12,15-16H2,1-2H3,(H3,27,28,29,30,31,32)	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	549	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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
Aurora kinase A (Homo sapiens (Human))	BDBM50004212 (CHEMBL3237177) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H30N8O4S/c1-18-4-10-22(11-5-18)40(37,38)35-14-12-34(13-15-35)25-17-23(29-24-16-19(2)32-33-24)30-27(31-25)28-21-8-6-20(7-9-21)26(36)39-3/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29,30,31,32,33)	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	573	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				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