Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50435702'   

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))	BDBM50435702 (CHEMBL2392102) Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8OS/c1-31-20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical College Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay				Bioorg Med Chem Lett 23: 3523-30 (2013) Article DOI: 10.1016/j.bmcl.2013.04.039 BindingDB Entry DOI: 10.7270/Q26111Q1
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