Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50352305'   

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))	BDBM50352305 (CHEMBL1822642) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H29FN8O3S/c1-18-13-26(35-34-18)32-28-25-3-2-12-38(25)36-29(33-28)42-24-10-6-20(7-11-24)31-27(40)16-37-15-23(14-21(37)17-39)41-22-8-4-19(30)5-9-22/h2-13,21,23,39H,14-17H2,1H3,(H,31,40)(H2,32,33,34,35,36)/t21-,23+/m0/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	53	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
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