Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 5482   

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))	BDBM86616 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1 Show InChI InChI=1S/C25H27N7O4/c1-29-19-7-5-4-6-17(19)23(33)30(2)20-15-26-25(28-22(20)29)27-16-8-9-18(21(14-16)36-3)24(34)31-10-12-32(35)13-11-31/h4-9,14-15,35H,10-13H2,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM86614 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)nc12 Show InChI InChI=1S/C25H25ClN6O3/c1-30-20-6-4-3-5-18(20)23(34)31(2)21-14-27-25(29-22(21)30)28-15-7-8-17(19(26)13-15)24(35)32-11-9-16(33)10-12-32/h3-8,13-14,16,33H,9-12H2,1-2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31837 (2,4-Bisanilinopyrimidine, 10 | Aurora Inhibitor, 3...) Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50337135 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C19H18N6O3S/c1-24-15-6-4-3-5-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-7-9-13(10-8-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86615 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C Show InChI InChI=1S/C26H29N7O2/c1-17-15-18(9-10-19(17)25(35)33-13-11-30(2)12-14-33)28-26-27-16-22-23(29-26)31(3)21-8-6-5-7-20(21)24(34)32(22)4/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86613 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C26H25F3N6O3/c1-33-20-6-4-3-5-18(20)23(37)34(2)21-14-30-25(32-22(21)33)31-15-7-8-17(19(13-15)26(27,28)29)24(38)35-11-9-16(36)10-12-35/h3-8,13-14,16,36H,9-12H2,1-2H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM81552 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM86601 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 7) Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C26H29N7O2/c1-4-32-13-15-33(16-14-32)24(34)18-9-11-19(12-10-18)28-26-27-17-22-23(29-26)30(2)21-8-6-5-7-20(21)25(35)31(22)3/h5-12,17H,4,13-16H2,1-3H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86602 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8) Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C27H31N7O2/c1-4-33-13-15-34(16-14-33)24(35)17-19-9-11-20(12-10-19)29-27-28-18-23-25(30-27)31(2)22-8-6-5-7-21(22)26(36)32(23)3/h5-12,18H,4,13-17H2,1-3H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86598 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-28-12-14-31(15-13-28)18-10-8-17(9-11-18)26-24-25-16-21-22(27-24)29(2)20-7-5-4-6-19(20)23(32)30(21)3/h4-11,16H,12-15H2,1-3H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50337135 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C19H18N6O3S/c1-24-15-6-4-3-5-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-7-9-13(10-8-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86599 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 4) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C24H26N6O4S/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-18(10-8-16)35(33,34)30-13-11-17(31)12-14-30/h3-10,15,17,31H,11-14H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86606 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F Show InChI InChI=1S/C26H26F3N7O2/c1-33-10-12-36(13-11-33)24(38)17-9-8-16(14-19(17)26(27,28)29)31-25-30-15-21-22(32-25)34(2)20-7-5-4-6-18(20)23(37)35(21)3/h4-9,14-15H,10-13H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86610 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(Cc2cccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)c2)CC1 Show InChI InChI=1S/C25H29N7O/c1-29-11-13-32(14-12-29)17-18-7-6-8-19(15-18)27-25-26-16-22-23(28-25)30(2)21-10-5-4-9-20(21)24(33)31(22)3/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86622 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(C)c5N(C)c4n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N7O/c1-5-37-11-13-38(14-12-37)17-19-9-10-20(15-22(19)28(29,30)31)33-27-32-16-23-25(34-27)36(4)24-18(2)7-6-8-21(24)26(39)35(23)3/h6-10,15-16H,5,11-14,17H2,1-4H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86611 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1 Show InChI InChI=1S/C24H27N7O/c1-28-11-13-31(14-12-28)18-8-6-7-17(15-18)26-24-25-16-21-22(27-24)29(2)20-10-5-4-9-19(20)23(32)30(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86623 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(F)c5N(C)c4n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F4N7O/c1-4-37-10-12-38(13-11-37)16-17-8-9-18(14-20(17)27(29,30)31)33-26-32-15-22-24(34-26)36(3)23-19(25(39)35(22)2)6-5-7-21(23)28/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86614 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)nc12 Show InChI InChI=1S/C25H25ClN6O3/c1-30-20-6-4-3-5-18(20)23(34)31(2)21-14-27-25(29-22(21)30)28-15-7-8-17(19(26)13-15)24(35)32-11-9-16(33)10-12-32/h3-8,13-14,16,33H,9-12H2,1-2H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86615 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C Show InChI InChI=1S/C26H29N7O2/c1-17-15-18(9-10-19(17)25(35)33-13-11-30(2)12-14-33)28-26-27-16-22-23(29-26)31(3)21-8-6-5-7-20(21)24(34)32(22)4/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86609 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1 Show InChI InChI=1S/C25H27N7O2/c1-29-11-13-32(14-12-29)23(33)17-7-6-8-18(15-17)27-25-26-16-21-22(28-25)30(2)20-10-5-4-9-19(20)24(34)31(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86601 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 7) Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C26H29N7O2/c1-4-32-13-15-33(16-14-32)24(34)18-9-11-19(12-10-18)28-26-27-17-22-23(29-26)30(2)21-8-6-5-7-20(21)25(35)31(22)3/h5-12,17H,4,13-16H2,1-3H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
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	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86600 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5) Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C25H28N6O3S/c1-17-12-14-31(15-13-17)35(33,34)19-10-8-18(9-11-19)27-25-26-16-22-23(28-25)29(2)21-7-5-4-6-20(21)24(32)30(22)3/h4-11,16-17H,12-15H2,1-3H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86617 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H30F3N7O/c1-4-36-11-13-37(14-12-36)17-18-9-10-19(15-21(18)27(28,29)30)32-26-31-16-23-24(33-26)34(2)22-8-6-5-7-20(22)25(38)35(23)3/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase C (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 NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18.3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM86604 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12 Show InChI InChI=1S/C25H22N6O2/c1-30-21-9-4-3-8-20(21)24(32)31(2)22-15-27-25(29-23(22)30)28-17-10-12-19(13-11-17)33-16-18-7-5-6-14-26-18/h3-15H,16H2,1-2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM81552 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18.4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86602 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8) Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C27H31N7O2/c1-4-33-13-15-34(16-14-33)24(35)17-19-9-11-20(12-10-19)29-27-28-18-23-25(30-27)31(2)22-8-6-5-7-21(22)26(36)32(23)3/h5-12,18H,4,13-17H2,1-3H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86610 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(Cc2cccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C)c4n3)c2)CC1 Show InChI InChI=1S/C25H29N7O/c1-29-11-13-32(14-12-29)17-18-7-6-8-19(15-18)27-25-26-16-22-23(28-25)30(2)21-10-5-4-9-20(21)24(33)31(22)3/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					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	19.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	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	23.2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86616 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1 Show InChI InChI=1S/C25H27N7O4/c1-29-19-7-5-4-6-17(19)23(33)30(2)20-15-26-25(28-22(20)29)27-16-8-9-18(21(14-16)36-3)24(34)31-10-12-32(35)13-11-31/h4-9,14-15,35H,10-13H2,1-3H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM81552 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	24.6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase C (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 NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86598 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-28-12-14-31(15-13-28)18-10-8-17(9-11-18)26-24-25-16-21-22(27-24)29(2)20-7-5-4-6-19(20)23(32)30(21)3/h4-11,16H,12-15H2,1-3H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86599 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 4) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C24H26N6O4S/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-18(10-8-16)35(33,34)30-13-11-17(31)12-14-30/h3-10,15,17,31H,11-14H2,1-2H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86609 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1 Show InChI InChI=1S/C25H27N7O2/c1-29-11-13-32(14-12-29)23(33)17-7-6-8-18(15-17)27-25-26-16-21-22(28-25)30(2)20-10-5-4-9-19(20)24(34)31(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86604 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12 Show InChI InChI=1S/C25H22N6O2/c1-30-21-9-4-3-8-20(21)24(32)31(2)22-15-27-25(29-23(22)30)28-17-10-12-19(13-11-17)33-16-18-7-5-6-14-26-18/h3-15H,16H2,1-2H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM86598 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-28-12-14-31(15-13-28)18-10-8-17(9-11-18)26-24-25-16-21-22(27-24)29(2)20-7-5-4-6-19(20)23(32)30(21)3/h4-11,16H,12-15H2,1-3H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86613 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(O)CC4)c(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C26H25F3N6O3/c1-33-20-6-4-3-5-18(20)23(37)34(2)21-14-30-25(32-22(21)33)31-15-7-8-17(19(13-15)26(27,28)29)24(38)35-11-9-16(36)10-12-35/h3-8,13-14,16,36H,9-12H2,1-2H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43.7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86600 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5) Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C25H28N6O3S/c1-17-12-14-31(15-13-17)35(33,34)19-10-8-18(9-11-19)27-25-26-16-22-23(28-25)29(2)21-7-5-4-6-20(21)24(32)30(22)3/h4-11,16-17H,12-15H2,1-3H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86608 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)nc12 Show InChI InChI=1S/C25H21ClN6O2/c1-31-20-9-4-3-8-18(20)24(33)32(2)21-14-28-25(30-23(21)31)29-16-10-11-22(19(26)13-16)34-15-17-7-5-6-12-27-17/h3-14H,15H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53.2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86611 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1 Show InChI InChI=1S/C24H27N7O/c1-28-11-13-31(14-12-28)18-8-6-7-17(15-18)26-24-25-16-21-22(27-24)29(2)20-10-5-4-9-19(20)23(32)30(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86618 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H34F3N7O/c1-5-37-12-14-38(15-13-37)18-20-10-11-21(16-23(20)29(30,31)32)34-28-33-17-25-26(35-28)39(19(2)3)24-9-7-6-8-22(24)27(40)36(25)4/h6-11,16-17,19H,5,12-15,18H2,1-4H3,(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81.7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86605 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4cccc(Cl)c4)cc3)nc12 Show InChI InChI=1S/C26H22ClN5O2/c1-31-22-9-4-3-8-21(22)25(33)32(2)23-15-28-26(30-24(23)31)29-19-10-12-20(13-11-19)34-16-17-6-5-7-18(27)14-17/h3-15H,16H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83.9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM86606 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F Show InChI InChI=1S/C26H26F3N7O2/c1-33-10-12-36(13-11-33)24(38)17-9-8-16(14-19(17)26(27,28)29)31-25-30-15-21-22(32-25)34(2)20-7-5-4-6-18(20)23(37)35(21)3/h4-9,14-15H,10-13H2,1-3H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86607 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C(F)(F)F Show InChI InChI=1S/C25H26F3N7O/c1-32-10-12-35(13-11-32)20-9-8-16(14-18(20)25(26,27)28)30-24-29-15-21-22(31-24)33(2)19-7-5-4-6-17(19)23(36)34(21)3/h4-9,14-15H,10-13H2,1-3H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair

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