Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Deoxynucleoside kinase' and Ligand = 'BDBM50201000'   

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
Deoxynucleoside kinase (Drosophila melanogaster)	BDBM50201000 (4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methy...) Show SMILES CNC(=O)c1ccc(cc1)C(OCCCCCCn1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H35N3O4/c1-24-23-35(31(38)34-29(24)36)21-11-3-4-12-22-39-32(26-13-7-5-8-14-26,27-15-9-6-10-16-27)28-19-17-25(18-20-28)30(37)33-2/h5-10,13-20,23H,3-4,11-12,21-22H2,1-2H3,(H,33,37)(H,34,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
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