Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50215749'   

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))	BDBM50215749 (4-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-...) Show SMILES FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17| Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of aurora-A				Bioorg Med Chem Lett 17: 4557-61 (2007) Article DOI: 10.1016/j.bmcl.2007.05.092 BindingDB Entry DOI: 10.7270/Q2DB81JD
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