Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50382024'   

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))	BDBM50382024 (CHEMBL2022118) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCCN(C)C)c3)sn2)C1 Show InChI InChI=1S/C26H36N10OS/c1-18-6-5-8-34(13-18)16-21-10-24(38-32-21)31-25-26-28-12-22(36(26)14-19(2)30-25)20-11-29-35(15-20)17-23(37)27-7-9-33(3)4/h10-12,14-15,18H,5-9,13,16-17H2,1-4H3,(H,27,37)(H,30,31)	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	>3.00E+3	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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