Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50333658'   

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))	BDBM50333658 (CHEMBL1643139 | N-(4-(3-(3-amino-1H-pyrazol-4-yl)p...) Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccc(Oc3ncccc3-c3cn[nH]c3N)cc2)c2ccccc12 Show InChI InChI=1S/C29H23N7O/c1-18-8-10-19(11-9-18)26-22-5-2-3-6-23(22)28(36-34-26)33-20-12-14-21(15-13-20)37-29-24(7-4-16-31-29)25-17-32-35-27(25)30/h2-17H,1H3,(H,33,36)(H3,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells				Bioorg Med Chem 19: 907-16 (2011) Article DOI: 10.1016/j.bmc.2010.11.064 BindingDB Entry DOI: 10.7270/Q2V40VGC
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