Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50401436'   

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))	BDBM50401436 (CHEMBL2203769) Show SMILES C[C@H]1CN(CCN1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 |r| Show InChI InChI=1S/C26H31ClN8O/c1-17-15-35(8-7-28-17)21-5-3-19(4-6-21)25-30-23-24(22(27)14-29-26(23)31-25)34-11-9-33(10-12-34)16-20-13-18(2)36-32-20/h3-6,13-14,17,28H,7-12,15-16H2,1-2H3,(H,29,30,31)/t17-/m0/s1	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	34	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
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