Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50181552'   

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))	BDBM50181552 (3-fluoro-N-({2-[(7-{3-[4-(hydroxymethyl)piperidin-...) Show SMILES COc1cc2c(Nc3ncc(CNC(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C29H33FN6O4S/c1-39-25-13-23-24(14-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)33-18-34-27(23)35-29-32-16-22(41-29)15-31-28(38)20-4-2-5-21(30)12-20/h2,4-5,12-14,16,18-19,37H,3,6-11,15,17H2,1H3,(H,31,38)(H,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description In vitro inhibition constant for Aurora-A				J Med Chem 49: 955-70 (2006) Article DOI: 10.1021/jm050786h BindingDB Entry DOI: 10.7270/Q24J0FXV
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