Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Nek1' and Ligand = 'BDBM50330578'   

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 Nek1 (Homo sapiens (Human))	BDBM50330578 (1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	25
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of NEK1 after 1 hr at room temperature by caliper method				J Med Chem 53: 7682-98 (2010) Article DOI: 10.1021/jm1008727 BindingDB Entry DOI: 10.7270/Q23J3D79
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