Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50243930'   

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))	BDBM50243930 (4-[1-(tert-Butoxymethyl)-1H-indol-3-yl]-3-(3,4,5-t...) Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13| Show InChI InChI=1S/C26H30N2O5/c1-26(2,3)33-15-28-14-19(17-9-7-8-10-20(17)28)18-13-27-25(29)23(18)16-11-21(30-4)24(32-6)22(12-16)31-5/h7-12,14H,13,15H2,1-6H3,(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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls University Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A				J Med Chem 51: 3814-24 (2008) Article DOI: 10.1021/jm8001185 BindingDB Entry DOI: 10.7270/Q2057FQS
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