Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50330557'   

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))	BDBM50330557 (CHEMBL1277383 | N-(3-Chloro-4-fluorobenzyl)-4-fura...) Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1| Show InChI InChI=1S/C22H16ClFN4O2/c1-12-19(21(29)26-13-8-9-15(24)14(23)11-13)20(18-7-4-10-30-18)28-17-6-3-2-5-16(17)27-22(28)25-12/h2-11,19-20H,1H3,(H,26,29)	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	5.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human purified recombinant aurora-A kinase				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
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