Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Nek1' and Ligand = 'BDBM50330574'   

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))	BDBM50330574 (1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)pi...) Show SMILES CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+4	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
					More data for this Ligand-Target Pair