Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50375996'   

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))	BDBM50375996 (CHEMBL272250) Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 51: 1668-80 (2008) Article DOI: 10.1021/jm701098w BindingDB Entry DOI: 10.7270/Q2F47Q0C
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