Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50382021'   

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))	BDBM50382021 (CHEMBL2022713) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4cccnc4F)c3)sn2)C1 Show InChI InChI=1S/C27H29FN10OS/c1-17-5-4-8-36(12-17)15-20-9-24(40-35-20)34-26-27-30-11-22(38(27)13-18(2)32-26)19-10-31-37(14-19)16-23(39)33-21-6-3-7-29-25(21)28/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,32,34)(H,33,39)	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	753	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
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