Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM86616'   

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
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