Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Uracil-DNA glycosylase' and Ligand = 'BDBM50078341'   

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
Uracil-DNA glycosylase (Homo sapiens (Human))	BDBM50078341 (1-(2-Hydroxy-ethyl)-6-(4-octyl-phenylamino)-1H-pyr...) Show SMILES CCCCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCO)cc1 Show InChI InChI=1S/C20H29N3O3/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21-18-15-19(25)22-20(26)23(18)13-14-24/h9-12,15,21,24H,2-8,13-14H2,1H3,(H,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical Center Curated by ChEMBL					Assay Description Inhibitory potency of the compound against HSV-1 Uracil-DNA glycosylase				J Med Chem 42: 2344-50 (1999) Article DOI: 10.1021/jm980718d BindingDB Entry DOI: 10.7270/Q21J98ZQ
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