Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50304193'   

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))	BDBM50304193 (CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...) Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
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