Compile Data Set for Download or QSAR

Found 185 hits of ki data for polymerid = 4981   

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 B (Homo sapiens (Human))	BDBM50241089 (2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...) Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical College Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				Bioorg Med Chem Lett 23: 3523-30 (2013) Article DOI: 10.1016/j.bmcl.2013.04.039 BindingDB Entry DOI: 10.7270/Q26111Q1
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of Aurora B ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of human Aurora B ATP binding site by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50442149 (CHEMBL2441267) Show SMILES Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1 |r,wU:22.23,wD:19.19,(57.53,-16.46,;56.01,-16.27,;55.28,-14.93,;53.76,-15.22,;53.57,-16.74,;52.23,-17.49,;52.2,-19.03,;50.85,-19.77,;50.82,-21.31,;49.48,-22.06,;48.11,-21.34,;46.81,-22.18,;45.44,-21.47,;45.37,-19.93,;46.67,-19.1,;48.04,-19.8,;52.14,-22.11,;53.49,-21.36,;54.81,-22.16,;54.78,-23.7,;53.43,-24.44,;53.4,-25.98,;54.73,-26.78,;54.7,-28.32,;56.07,-26.03,;56.1,-24.49,;53.52,-19.82,;54.97,-17.41,)| Show InChI InChI=1S/C21H25N5OS/c1-14-13-22-21(28-14)26-19-12-17(11-15-5-3-2-4-6-15)24-20(25-19)23-16-7-9-18(27)10-8-16/h2-6,12-13,16,18,27H,7-11H2,1H3,(H2,22,23,24,25,26)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					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	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 B (Homo sapiens (Human))	BDBM26277 (N-(3,5-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H33F2N7O4/c1-41-25-14-23-24(15-26(25)42-8-2-5-38-6-3-18(16-39)4-7-38)32-17-33-29(23)35-27-12-22(36-37-27)13-28(40)34-21-10-19(30)9-20(31)11-21/h9-12,14-15,17-18,39H,2-8,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26295 (CHEMBL214849 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC Show InChI InChI=1S/C28H33F2N7O4/c1-3-8-37(10-11-38)9-5-12-41-24-16-22-19(15-23(24)40-2)28(32-17-31-22)34-25-13-18(35-36-25)14-26(39)33-21-7-4-6-20(29)27(21)30/h4,6-7,13,15-17,38H,3,5,8-12,14H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26308 (4-aminopyrazole quinazoline, 8 | N-(2,3-difluoroph...) Show SMILES OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1 |r| Show InChI InChI=1S/C27H29F2N7O3/c28-22-5-1-6-23(26(22)29)34-25(38)15-36-14-18(13-32-36)33-27-21-8-7-20(12-24(21)30-17-31-27)39-11-3-10-35-9-2-4-19(35)16-37/h1,5-8,12-14,17,19,37H,2-4,9-11,15-16H2,(H,34,38)(H,30,31,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				Bioorg Med Chem Lett 18: 1904-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.002 BindingDB Entry DOI: 10.7270/Q2BZ64C7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26307 (4-aminopyrazole quinazoline, 7 | N-(3-fluorophenyl...) Show SMILES OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1 |r| Show InChI InChI=1S/C27H30FN7O3/c28-19-4-1-5-20(12-19)32-26(37)16-35-15-21(14-31-35)33-27-24-8-7-23(13-25(24)29-18-30-27)38-11-3-10-34-9-2-6-22(34)17-36/h1,4-5,7-8,12-15,18,22,36H,2-3,6,9-11,16-17H2,(H,32,37)(H,29,30,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				Bioorg Med Chem Lett 18: 1904-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.002 BindingDB Entry DOI: 10.7270/Q2BZ64C7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26284 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydrox...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r| Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26285 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2S)-2-(hydrox...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO |r| Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26286 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1 Show InChI InChI=1S/C29H34F2N8O4/c1-42-24-16-20-23(17-25(24)43-13-3-6-38-7-9-39(10-8-38)11-12-40)32-18-33-29(20)35-26-14-19(36-37-26)15-27(41)34-22-5-2-4-21(30)28(22)31/h2,4-5,14,16-18,40H,3,6-13,15H2,1H3,(H,34,41)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26287 (N-(2,3-difluorophenyl)-2-[3-({7-[3-(4-hydroxypiper...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(O)CC1 Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-14-19-22(15-24(23)41-11-3-8-37-9-6-18(38)7-10-37)31-16-32-28(19)34-25-12-17(35-36-25)13-26(39)33-21-5-2-4-20(29)27(21)30/h2,4-5,12,14-16,18,38H,3,6-11,13H2,1H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26288 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1 Show InChI InChI=1S/C30H35F2N7O4/c1-42-25-16-21-24(17-26(25)43-13-3-9-39-10-6-19(7-11-39)8-12-40)33-18-34-30(21)36-27-14-20(37-38-27)15-28(41)35-23-5-2-4-22(31)29(23)32/h2,4-5,14,16-19,40H,3,6-13,15H2,1H3,(H,35,41)(H2,33,34,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26289 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydroxymet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r| Show InChI InChI=1S/C28H32FN7O4/c1-39-24-14-22-23(15-25(24)40-10-4-9-36-8-3-7-21(36)16-37)30-17-31-28(22)33-26-12-20(34-35-26)13-27(38)32-19-6-2-5-18(29)11-19/h2,5-6,11-12,14-15,17,21,37H,3-4,7-10,13,16H2,1H3,(H,32,38)(H2,30,31,33,34,35)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26290 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)am...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO Show InChI InChI=1S/C25H28FN7O4/c1-36-21-13-19-20(14-22(21)37-9-3-6-27-7-8-34)28-15-29-25(19)31-23-11-18(32-33-23)12-24(35)30-17-5-2-4-16(26)10-17/h2,4-5,10-11,13-15,27,34H,3,6-9,12H2,1H3,(H,30,35)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26291 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(m...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO Show InChI InChI=1S/C26H30FN7O4/c1-34(8-9-35)7-4-10-38-23-15-21-20(14-22(23)37-2)26(29-16-28-21)31-24-12-19(32-33-24)13-25(36)30-18-6-3-5-17(27)11-18/h3,5-6,11-12,14-16,35H,4,7-10,13H2,1-2H3,(H,30,36)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26292 (2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-6...) Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC Show InChI InChI=1S/C27H32FN7O4/c1-3-35(9-10-36)8-5-11-39-24-16-22-21(15-23(24)38-2)27(30-17-29-22)32-25-13-20(33-34-25)14-26(37)31-19-7-4-6-18(28)12-19/h4,6-7,12-13,15-17,36H,3,5,8-11,14H2,1-2H3,(H,31,37)(H2,29,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26294 (CHEMBL214848 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC Show InChI InChI=1S/C27H31F2N7O4/c1-3-36(9-10-37)8-5-11-40-23-15-21-18(14-22(23)39-2)27(31-16-30-21)33-24-12-17(34-35-24)13-25(38)32-20-7-4-6-19(28)26(20)29/h4,6-7,12,14-16,37H,3,5,8-11,13H2,1-2H3,(H,32,38)(H2,30,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26296 (CHEMBL216053 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C Show InChI InChI=1S/C29H35F2N7O4/c1-18(2)16-38(9-10-39)8-5-11-42-25-15-23-20(14-24(25)41-3)29(33-17-32-23)35-26-12-19(36-37-26)13-27(40)34-22-7-4-6-21(30)28(22)31/h4,6-7,12,14-15,17-18,39H,5,8-11,13,16H2,1-3H3,(H,34,40)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26297 (CHEMBL215322 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 Show InChI InChI=1S/C26H29F2N7O3/c1-2-35(10-11-36)9-4-12-38-18-7-8-19-22(15-18)29-16-30-26(19)32-23-13-17(33-34-23)14-24(37)31-21-6-3-5-20(27)25(21)28/h3,5-8,13,15-16,36H,2,4,9-12,14H2,1H3,(H,31,37)(H2,29,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26298 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethy...) Show SMILES CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 Show InChI InChI=1S/C27H31F2N7O3/c1-2-9-36(11-12-37)10-4-13-39-19-7-8-20-23(16-19)30-17-31-27(20)33-24-14-18(34-35-24)15-25(38)32-22-6-3-5-21(28)26(22)29/h3,5-8,14,16-17,37H,2,4,9-13,15H2,1H3,(H,32,38)(H2,30,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26299 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydrox...) Show SMILES OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 |r| Show InChI InChI=1S/C27H29F2N7O3/c28-21-5-1-6-22(26(21)29)32-25(38)13-17-12-24(35-34-17)33-27-20-8-7-19(14-23(20)30-16-31-27)39-11-3-10-36-9-2-4-18(36)15-37/h1,5-8,12,14,16,18,37H,2-4,9-11,13,15H2,(H,32,38)(H2,30,31,33,34,35)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26300 (2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...) Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	<-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26301 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(p...) Show SMILES CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 Show InChI InChI=1S/C27H32FN7O3/c1-2-9-35(11-12-36)10-4-13-38-22-7-8-23-24(17-22)29-18-30-27(23)32-25-15-21(33-34-25)16-26(37)31-20-6-3-5-19(28)14-20/h3,5-8,14-15,17-18,36H,2,4,9-13,16H2,1H3,(H,31,37)(H2,29,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26302 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydroxymet...) Show SMILES OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 |r| Show InChI InChI=1S/C27H30FN7O3/c28-18-4-1-5-19(12-18)31-26(37)14-20-13-25(34-33-20)32-27-23-8-7-22(15-24(23)29-17-30-27)38-11-3-10-35-9-2-6-21(35)16-36/h1,4-5,7-8,12-13,15,17,21,36H,2-3,6,9-11,14,16H2,(H,31,37)(H2,29,30,32,33,34)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26303 (4-aminopyrazole quinazoline, 3 | N-(2,3-difluoroph...) Show SMILES COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r| Show InChI InChI=1S/C28H31F2N7O4/c1-40-24-11-20-23(12-25(24)41-10-4-9-36-8-3-5-19(36)16-38)31-17-32-28(20)34-18-13-33-37(14-18)15-26(39)35-22-7-2-6-21(29)27(22)30/h2,6-7,11-14,17,19,38H,3-5,8-10,15-16H2,1H3,(H,35,39)(H,31,32,34)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				Bioorg Med Chem Lett 18: 1904-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.002 BindingDB Entry DOI: 10.7270/Q2BZ64C7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26304 (4-aminopyrazole quinazoline, 4 | N-(2,3-difluoroph...) Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC Show InChI InChI=1S/C27H31F2N7O4/c1-3-35(9-10-37)8-5-11-40-24-13-22-19(12-23(24)39-2)27(31-17-30-22)33-18-14-32-36(15-18)16-25(38)34-21-7-4-6-20(28)26(21)29/h4,6-7,12-15,17,37H,3,5,8-11,16H2,1-2H3,(H,34,38)(H,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				Bioorg Med Chem Lett 18: 1904-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.002 BindingDB Entry DOI: 10.7270/Q2BZ64C7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26305 (4-aminopyrazole quinazoline, 5 | N-(3-fluorophenyl...) Show SMILES COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r| Show InChI InChI=1S/C28H32FN7O4/c1-39-25-12-23-24(13-26(25)40-10-4-9-35-8-3-7-22(35)17-37)30-18-31-28(23)34-21-14-32-36(15-21)16-27(38)33-20-6-2-5-19(29)11-20/h2,5-6,11-15,18,22,37H,3-4,7-10,16-17H2,1H3,(H,33,38)(H,30,31,34)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				Bioorg Med Chem Lett 18: 1904-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.002 BindingDB Entry DOI: 10.7270/Q2BZ64C7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26306 (2-{4-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-6...) Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC Show InChI InChI=1S/C27H32FN7O4/c1-3-34(9-10-36)8-5-11-39-25-14-23-22(13-24(25)38-2)27(30-18-29-23)33-21-15-31-35(16-21)17-26(37)32-20-7-4-6-19(28)12-20/h4,6-7,12-16,18,36H,3,5,8-11,17H2,1-2H3,(H,32,37)(H,29,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				Bioorg Med Chem Lett 18: 1904-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.002 BindingDB Entry DOI: 10.7270/Q2BZ64C7
					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	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 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of Aurora B ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM26293 (CHEMBL217804 | N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-...) Show SMILES CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC Show InChI InChI=1S/C28H34FN7O4/c1-3-8-36(10-11-37)9-5-12-40-25-17-23-22(16-24(25)39-2)28(31-18-30-23)33-26-14-21(34-35-26)15-27(38)32-20-7-4-6-19(29)13-20/h4,6-7,13-14,16-18,37H,3,5,8-12,15H2,1-2H3,(H,32,38)(H2,30,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	-11.7	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26276 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H33F2N7O4/c1-41-24-14-20-23(15-25(24)42-11-3-8-38-9-6-18(16-39)7-10-38)32-17-33-29(20)35-26-12-19(36-37-26)13-27(40)34-22-5-2-4-21(30)28(22)31/h2,4-5,12,14-15,17-18,39H,3,6-11,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-11.7	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26274 (CHEMBL216769 | N-(3-fluorophenyl)-2-{3-[(7-{3-[4-(...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	-11.7	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319623 (4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...) Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319622 (CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)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 MCE PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114424 BindingDB Entry DOI: 10.7270/Q2VX0MHV
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319616 (1-(4-(4-(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1 Show InChI InChI=1S/C20H23N7OS/c1-13-18(29-19(21)23-13)17-7-8-22-20(25-17)24-15-3-5-16(6-4-15)27-11-9-26(10-12-27)14(2)28/h3-8H,9-12H2,1-2H3,(H2,21,23)(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319620 (CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1 Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50442153 (CHEMBL2441283) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ncc(Cc3ccccc3)s2)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(16.64,-34.58,;16.67,-33.04,;15.34,-32.24,;15.37,-30.7,;16.72,-29.96,;18.04,-30.75,;18.01,-32.29,;16.75,-28.42,;15.43,-27.62,;15.46,-26.08,;14.14,-25.29,;14.17,-23.75,;15.51,-23,;15.7,-21.49,;17.21,-21.19,;17.96,-22.54,;19.49,-22.73,;20.42,-21.5,;21.94,-21.69,;22.87,-20.46,;22.27,-19.04,;20.73,-18.86,;19.81,-20.09,;16.91,-23.66,;12.79,-26.03,;12.76,-27.57,;14.08,-28.37,;11.42,-28.31,;10.23,-29.3,;12.4,-29.5,;10.05,-27.6,;8.75,-28.44,;7.38,-27.73,;7.31,-26.19,;5.94,-25.48,;8.61,-25.36,;9.97,-26.06,)| Show InChI InChI=1S/C27H26F3N5OS/c28-19-8-6-18(7-9-19)27(29,30)23-15-24(34-25(33-23)32-20-10-12-21(36)13-11-20)35-26-31-16-22(37-26)14-17-4-2-1-3-5-17/h1-9,15-16,20-21,36H,10-14H2,(H2,31,32,33,34,35)/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319617 (CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319621 (CHEMBL1086088 | N-Ethyl-4-methyl-5-(2-(3,4,5-trime...) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 Show InChI InChI=1S/C19H23N5O3S/c1-6-20-19-22-11(2)17(28-19)13-7-8-21-18(24-13)23-12-9-14(25-3)16(27-5)15(10-12)26-4/h7-10H,6H2,1-5H3,(H,20,22)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26278 (N-(3-chlorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)p...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(Cl)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H34ClN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37-9-6-19(17-38)7-10-37)31-18-32-29(23)34-27-13-22(35-36-27)14-28(39)33-21-5-2-4-20(30)12-21/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-10.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					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 B (Homo sapiens (Human))	BDBM50319619 (4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26282 (2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...) Show SMILES COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1 Show InChI InChI=1S/C30H37N7O5/c1-40-23-6-3-5-21(13-23)33-29(39)15-22-14-28(36-35-22)34-30-24-16-26(41-2)27(17-25(24)31-19-32-30)42-12-4-9-37-10-7-20(18-38)8-11-37/h3,5-6,13-14,16-17,19-20,38H,4,7-12,15,18H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-10.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277583 (2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...) Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50319618 (CHEMBL1084629 | N,4-Dimethyl-5-(2-(4-morpholinophe...) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
					More data for this Ligand-Target Pair

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