Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM86614'   

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))	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