Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Nek2' and Ligand = 'BDBM50235014'   

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))	BDBM50235014 (CHEMBL4060438) Show SMILES CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C26H27N5O2/c1-29-11-13-30(14-12-29)21-9-10-31-23(17-28-25(31)16-21)20-7-8-22(26(27)32)24(15-20)33-18-19-5-3-2-4-6-19/h2-10,15-17H,11-14,18H2,1H3,(H2,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...				Eur J Med Chem 126: 1083-1106 (2017) Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN
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