Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Nek2' and Ligand = 'BDBM50385927'   

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))	BDBM50385927 (CHEMBL2042139) Show SMILES COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1 Show InChI InChI=1S/C17H15N3O2S/c1-22-14-8-10(4-5-12(14)17(19)21)13-7-11(9-20-16(13)18)15-3-2-6-23-15/h2-9H,1H3,(H2,18,20)(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	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
					More data for this Ligand-Target Pair