Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50330555'   

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))	BDBM50330555 (4-Thiophene-6-methyl-N-(3-chloro-4-fluorophenyl)-4...) Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |t:1| Show InChI InChI=1S/C18H14ClFN4OS/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25)	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	>5.00E+4	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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