Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50160878'   

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))	BDBM50160878 (CHEMBL3792712) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C25H21N7O4S/c1-36-25(35)15-3-2-4-16(11-15)29-24(34)19-12-18(5-6-21(19)33)32-13-17(30-31-32)7-9-26-23-22-20(8-10-37-22)27-14-28-23/h2-6,8,10-14,33H,7,9H2,1H3,(H,29,34)(H,26,27,28)	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	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
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