Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Nek2' and Ligand = 'BDBM50385925'   

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
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385925 (CHEMBL2042137) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C25H20F3N3O2S/c1-14(17-5-2-3-6-20(17)25(26,27)28)33-21-12-15(8-9-18(21)24(30)32)19-11-16(13-31-23(19)29)22-7-4-10-34-22/h2-14H,1H3,(H2,29,31)(H2,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
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