Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50330553'   

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))	BDBM50330553 (4-Phenyl-6-methyl-N-(4-trifluoromethylphenyl)-4,7-...) Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 |t:1| Show InChI InChI=1S/C21H17F3N4O/c1-12-17(20(29)27-15-9-7-14(8-10-15)21(22,23)24)18(13-5-3-2-4-6-13)16-11-25-28-19(16)26-12/h2-11,17-18H,1H3,(H,25,28)(H,27,29)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human purified recombinant aurora-A kinase				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
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