Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50503746'   

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))	BDBM50503746 (CHEMBL4528809) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C30H29ClFN7O2/c1-39-16-14-23(15-17-39)35-28(40)19-8-12-22(13-9-19)36-30-33-18-25(32)27(38-30)34-21-10-6-20(7-11-21)29(41)37-26-5-3-2-4-24(26)31/h2-13,18,23H,14-17H2,1H3,(H,35,40)(H,37,41)(H2,33,34,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method				Bioorg Med Chem 27: 65-78 (2019) Article DOI: 10.1016/j.bmc.2018.11.006 BindingDB Entry DOI: 10.7270/Q2PN98WR
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