Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50322811'   

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))	BDBM50322811 ((2,5-Dimethoxy-2,5-dihydrofuran-2-ylmethyl)-(5,6-d...) Show SMILES COC1OC(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)(OC)C=C1 |c:34| Show InChI InChI=1S/C25H23N3O4/c1-29-19-13-14-25(30-2,32-19)15-26-23-21-20(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)31-24(21)28-16-27-23/h3-14,16,19H,15H2,1-2H3,(H,26,27,28)	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	827	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 53: 4980-8 (2010) Checked by Author Article DOI: 10.1021/jm1000198 BindingDB Entry DOI: 10.7270/Q2Z60P87
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