Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-(apurinic or apyrimidinic site) endonuclease' and Ligand = 'BDBM50438880'   

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
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM50438880 (CHEMBL2420492) Show SMILES Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C18H12ClN3O2/c19-13-7-6-12-8-14-16(20-18(24)21-17(14)23)22(15(12)9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
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