Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM86610'   

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))	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
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