Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM86613'   

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))	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
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