Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50394793'   

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))	BDBM50394793 (CHEMBL2163413) Show SMILES CC(C)C(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r| Show InChI InChI=1S/C26H31N9O2S/c1-16(2)25(37)28-19-10-12-34(14-19)15-23(36)27-18-6-8-20(9-7-18)38-26-30-24(21-5-4-11-35(21)33-26)29-22-13-17(3)31-32-22/h4-9,11,13,16,19H,10,12,14-15H2,1-3H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)/t19-/m1/s1	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	n/a	13	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
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