Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50066147'   

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))	BDBM50066147 (CHEMBL3403013) Show SMILES CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H16ClN5O/c1-28(22(29)13-6-8-14(23)9-7-13)20-11-10-17-18(25-20)12-19(24-17)21-15-4-2-3-5-16(15)26-27-21/h2-12,24H,1H3,(H,26,27)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of human full length Aurora A by HTRF assay				Bioorg Med Chem 23: 1858-68 (2015) Article DOI: 10.1016/j.bmc.2015.02.004 BindingDB Entry DOI: 10.7270/Q26H4K23
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