Compile Data Set for Download or QSAR

Found 219 hits of kd data for polymerid = 4981   

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 B (Homo sapiens (Human))	BDBM50460772 (CHEMBL4225923) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Binding affinity to Aurora B (unknown origin) after 45 mins by fluorescence-based thermal stability shift assay				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50460773 (CHEMBL4227082) Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N8S/c1-12-11-27-16(13-8-22-23-9-13)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-14-4-2-3-5-20-14/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Binding affinity to Aurora B (unknown origin) after 45 mins by fluorescence-based thermal stability shift assay				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352328 (CHEMBL1822648) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C22H23FN8O2S/c1-13-9-19(28-27-13)25-21-17-3-2-8-31(17)29-22(26-21)34-15-6-4-14(5-7-15)24-20(33)12-30-10-16(23)18(32)11-30/h2-9,16,18,32H,10-12H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394785 (CHEMBL2163404) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(F)(F)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H29F2N9O2S/c1-17-13-22(34-33-17)31-24-21-3-2-10-38(21)35-26(32-24)41-20-6-4-19(5-7-20)30-23(39)15-36-11-8-18(14-36)25(40)37-12-9-27(28,29)16-37/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394799 (CHEMBL2163407) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C24H28N8O3S/c1-16-13-21(29-28-16)26-23-20-3-2-9-32(20)30-24(27-23)36-19-6-4-17(5-7-19)25-22(34)15-31-10-8-18(14-31)35-12-11-33/h2-7,9,13,18,33H,8,10-12,14-15H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394779 (CHEMBL2163394) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H33N9O2S/c1-18-15-24(34-33-18)31-26-23-7-4-13-37(23)35-28(32-26)40-22-10-8-21(9-11-22)29-25(38)17-36-14-12-19(16-36)27(39)30-20-5-2-3-6-20/h4,7-11,13,15,19-20H,2-3,5-6,12,14,16-17H2,1H3,(H,29,38)(H,30,39)(H2,31,32,33,34,35)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394787 (CHEMBL2163402) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H31N9O2S/c1-18-15-23(32-31-18)29-25-22-5-4-13-36(22)33-27(30-25)39-21-8-6-20(7-9-21)28-24(37)17-34-14-10-19(16-34)26(38)35-11-2-3-12-35/h4-9,13,15,19H,2-3,10-12,14,16-17H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352325 (CHEMBL1822651) Show SMILES COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C25H30N8O4S/c1-16-12-22(30-29-16)27-24-19-4-3-9-33(19)31-25(28-24)38-18-7-5-17(6-8-18)26-23(35)15-32-13-20(34)21(14-32)37-11-10-36-2/h3-9,12,20-21,34H,10-11,13-15H2,1-2H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352323 (CHEMBL1822653) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394776 (CHEMBL2163388) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCC(F)(F)F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C25H26F3N9O2S/c1-15-11-20(34-33-15)31-22-19-3-2-9-37(19)35-24(32-22)40-18-6-4-17(5-7-18)30-21(38)13-36-10-8-16(12-36)23(39)29-14-25(26,27)28/h2-7,9,11,16H,8,10,12-14H2,1H3,(H,29,39)(H,30,38)(H2,31,32,33,34,35)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394786 (CHEMBL2163403) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H31N9O2S/c1-18-15-23(32-31-18)29-25-22-5-4-13-36(22)33-27(30-25)39-21-8-6-20(7-9-21)28-24(37)17-34-14-10-19(16-34)26(38)35-11-2-3-12-35/h4-9,13,15,19H,2-3,10-12,14,16-17H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394786 (CHEMBL2163403) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H31N9O2S/c1-18-15-23(32-31-18)29-25-22-5-4-13-36(22)33-27(30-25)39-21-8-6-20(7-9-21)28-24(37)17-34-14-10-19(16-34)26(38)35-11-2-3-12-35/h4-9,13,15,19H,2-3,10-12,14,16-17H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394783 (CHEMBL2163390) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H31N9O3S/c1-18-15-23(32-31-18)29-25-22-3-2-9-36(22)33-27(30-25)40-21-6-4-20(5-7-21)28-24(37)17-34-10-8-19(16-34)26(38)35-11-13-39-14-12-35/h2-7,9,15,19H,8,10-14,16-17H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394784 (CHEMBL2163389) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H33N9O2S/c1-19-16-24(33-32-19)30-26-23-6-5-14-37(23)34-28(31-26)40-22-9-7-21(8-10-22)29-25(38)18-35-15-11-20(17-35)27(39)36-12-3-2-4-13-36/h5-10,14,16,20H,2-4,11-13,15,17-18H2,1H3,(H,29,38)(H2,30,31,32,33,34)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394781 (CHEMBL2163392) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H36N10O3S/c1-20-17-25(35-34-20)32-27-24-3-2-10-39(24)36-29(33-27)43-23-6-4-22(5-7-23)31-26(40)19-38-11-8-21(18-38)28(41)30-9-12-37-13-15-42-16-14-37/h2-7,10,17,21H,8-9,11-16,18-19H2,1H3,(H,30,41)(H,31,40)(H2,32,33,34,35,36)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394796 (CHEMBL2163410) Show SMILES CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1 |r| Show InChI InChI=1S/C29H38N10O2S/c1-21-18-26(34-33-21)31-28-25-4-3-10-39(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(40)20-38-11-9-23(19-38)41-17-16-37-14-12-36(2)13-15-37/h3-8,10,18,23H,9,11-17,19-20H2,1-2H3,(H,30,40)(H2,31,32,33,34,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394798 (CHEMBL2163408) Show SMILES COCCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r| Show InChI InChI=1S/C25H30N8O3S/c1-17-14-22(30-29-17)27-24-21-4-3-10-33(21)31-25(28-24)37-20-7-5-18(6-8-20)26-23(34)16-32-11-9-19(15-32)36-13-12-35-2/h3-8,10,14,19H,9,11-13,15-16H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394777 (CHEMBL2163387) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H33N9O2S/c1-17-14-22(33-32-17)29-24-21-6-5-12-36(21)34-26(30-24)39-20-9-7-19(8-10-20)28-23(37)16-35-13-11-18(15-35)25(38)31-27(2,3)4/h5-10,12,14,18H,11,13,15-16H2,1-4H3,(H,28,37)(H,31,38)(H2,29,30,32,33,34)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394789 (CHEMBL2163400) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)S(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H32N8O2S2/c1-17-14-22(31-30-17)28-24-21-6-5-12-34(21)32-25(29-24)37-19-9-7-18(8-10-19)27-23(35)16-33-13-11-20(15-33)38(36)26(2,3)4/h5-10,12,14,20H,11,13,15-16H2,1-4H3,(H,27,35)(H2,28,29,30,31,32)/t20-,38?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50038423 (CHEMBL3361128) Show SMILES Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Binding affinity to AURKB (unknown origin)				Eur J Med Chem 89: 310-9 (2014) Article DOI: 10.1016/j.ejmech.2014.10.044 BindingDB Entry DOI: 10.7270/Q2JQ12NJ
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394792 (CHEMBL2163396) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H27N9O3S2/c1-15-12-20(28-27-15)25-22-19-4-3-10-32(19)29-23(26-22)36-18-7-5-16(6-8-18)24-21(33)14-31-11-9-17(13-31)30-37(2,34)35/h3-8,10,12,17,30H,9,11,13-14H2,1-2H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394778 (CHEMBL2163395) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H31N9O2S/c1-17-14-23(33-32-17)30-25-22-6-3-12-36(22)34-27(31-25)39-21-9-7-20(8-10-21)28-24(37)16-35-13-11-18(15-35)26(38)29-19-4-2-5-19/h3,6-10,12,14,18-19H,2,4-5,11,13,15-16H2,1H3,(H,28,37)(H,29,38)(H2,30,31,32,33,34)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394794 (CHEMBL2163412) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H32N8O2S/c1-17-14-22(31-30-17)28-24-21-6-5-12-34(21)32-25(29-24)37-20-9-7-18(8-10-20)27-23(35)16-33-13-11-19(15-33)36-26(2,3)4/h5-10,12,14,19H,11,13,15-16H2,1-4H3,(H,27,35)(H2,28,29,30,31,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394782 (CHEMBL2163391) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(O)CC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H33N9O3S/c1-18-15-24(33-32-18)30-26-23-3-2-11-37(23)34-28(31-26)41-22-6-4-20(5-7-22)29-25(39)17-35-12-8-19(16-35)27(40)36-13-9-21(38)10-14-36/h2-7,11,15,19,21,38H,8-10,12-14,16-17H2,1H3,(H,29,39)(H2,30,31,32,33,34)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394795 (CHEMBL2163411) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H37N9O3S/c1-21-18-26(34-33-21)31-28-25-4-2-11-38(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(39)20-37-12-9-23(19-37)41-15-3-10-36-13-16-40-17-14-36/h2,4-8,11,18,23H,3,9-10,12-17,19-20H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352322 (CHEMBL1822654) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352324 (CHEMBL1822652) Show SMILES CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C25H30N8O3S/c1-15(2)36-21-13-32(12-20(21)34)14-23(35)26-17-6-8-18(9-7-17)37-25-28-24(19-5-4-10-33(19)31-25)27-22-11-16(3)29-30-22/h4-11,15,20-21,34H,12-14H2,1-3H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352326 (CHEMBL1822650) Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352327 (CHEMBL1822649) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H29F3N8O3S/c1-15-11-21(34-33-15)31-23-18-5-4-10-37(18)35-24(32-23)41-17-8-6-16(7-9-17)30-22(39)14-36-12-19(38)20(13-36)40-25(2,3)26(27,28)29/h4-11,19-20,38H,12-14H2,1-3H3,(H,30,39)(H2,31,32,33,34,35)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352307 (CHEMBL1822640) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H25FN8O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352303 (CHEMBL1822490) Show SMILES CN1CCN(CC1)C(=O)C(=O)Nc1cc2c(Nc3cc(C)n[nH]3)nc(Sc3ccc(NC(=O)C4CC4)cc3)nn2c1 Show InChI InChI=1S/C27H30N10O3S/c1-16-13-22(33-32-16)30-23-21-14-19(29-25(39)26(40)36-11-9-35(2)10-12-36)15-37(21)34-27(31-23)41-20-7-5-18(6-8-20)28-24(38)17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,28,38)(H,29,39)(H2,30,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352311 (CHEMBL1822495) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H26N8O2S/c1-15-12-20(28-27-15)25-22-19-5-3-11-31(19)29-23(26-22)34-18-8-6-16(7-9-18)24-21(33)13-30-10-2-4-17(30)14-32/h3,5-9,11-12,17,32H,2,4,10,13-14H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394788 (CHEMBL2163401) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)S(=O)(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H32N8O3S2/c1-17-14-22(31-30-17)28-24-21-6-5-12-34(21)32-25(29-24)38-19-9-7-18(8-10-19)27-23(35)16-33-13-11-20(15-33)39(36,37)26(2,3)4/h5-10,12,14,20H,11,13,15-16H2,1-4H3,(H,27,35)(H2,28,29,30,31,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					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	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AURKB kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352321 (CHEMBL1822655) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H31N9O3S/c1-16-12-22(31-30-16)28-24-20-6-5-11-35(20)32-25(29-24)39-18-9-7-17(8-10-18)27-23(36)15-34-13-19(33-37)21(14-34)38-26(2,3)4/h5-12,19,21H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t19?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352329 (CHEMBL1822647) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H32N8O3S/c1-16-12-22(31-30-16)28-24-19-6-5-11-34(19)32-25(29-24)38-18-9-7-17(8-10-18)27-23(36)15-33-13-20(35)21(14-33)37-26(2,3)4/h5-12,20-21,35H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352309 (CHEMBL1822638) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394793 (CHEMBL2163413) Show SMILES CC(C)C(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r| Show InChI InChI=1S/C26H31N9O2S/c1-16(2)25(37)28-19-10-12-34(14-19)15-23(36)27-18-6-8-20(9-7-18)38-26-30-24(21-5-4-11-35(21)33-26)29-22-13-17(3)31-32-22/h4-9,11,13,16,19H,10,12,14-15H2,1-3H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394791 (CHEMBL2163397) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(C4)C(=O)C(C)(C)C)cc3)nn3cccc23)n[nH]1 Show InChI InChI=1S/C27H32N8O2S/c1-17-14-22(32-31-17)29-25-21-6-5-12-35(21)33-26(30-25)38-20-9-7-19(8-10-20)28-23(36)16-34-13-11-18(15-34)24(37)27(2,3)4/h5-10,12,14,18H,11,13,15-16H2,1-4H3,(H,28,36)(H2,29,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394800 (CHEMBL2163406) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](O)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C22H24N8O2S/c1-14-11-19(27-26-14)24-21-18-3-2-9-30(18)28-22(25-21)33-17-6-4-15(5-7-17)23-20(32)13-29-10-8-16(31)12-29/h2-7,9,11,16,31H,8,10,12-13H2,1H3,(H,23,32)(H2,24,25,26,27,28)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394797 (CHEMBL2163409) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H35N9O3S/c1-20-17-25(33-32-20)30-27-24-3-2-9-37(24)34-28(31-27)41-23-6-4-21(5-7-23)29-26(38)19-36-10-8-22(18-36)40-16-13-35-11-14-39-15-12-35/h2-7,9,17,22H,8,10-16,18-19H2,1H3,(H,29,38)(H2,30,31,32,33,34)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394780 (CHEMBL2163393) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)Nc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H28FN9O2S/c1-18-15-25(36-35-18)33-27-24-3-2-13-39(24)37-29(34-27)42-23-10-8-21(9-11-23)31-26(40)17-38-14-12-19(16-38)28(41)32-22-6-4-20(30)5-7-22/h2-11,13,15,19H,12,14,16-17H2,1H3,(H,31,40)(H,32,41)(H2,33,34,35,36,37)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					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	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AURKB kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
					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	PCBioAssay	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					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 PCBioAssay	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					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	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AURKB kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					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	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AURKB kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50352318 (CHEMBL1822658) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352318 (CHEMBL1822658) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair

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