Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA-(apurinic or apyrimidinic site) endonuclease' and Ligand = 'BDBM50438867'   

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))	BDBM50438867 (CHEMBL2420504) Show SMILES Oc1ccccc1-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O |(39.96,-41.85,;38.63,-42.63,;38.63,-44.16,;37.3,-44.93,;35.97,-44.16,;35.98,-42.63,;37.31,-41.87,;37.31,-40.33,;38.64,-39.57,;39.97,-40.34,;41.31,-39.57,;42.65,-40.34,;41.31,-38.03,;39.97,-37.25,;38.64,-38.03,;37.31,-37.25,;35.98,-38.03,;35.98,-39.57,;34.65,-40.33,;33.32,-39.57,;31.99,-40.34,;33.32,-38.03,;34.65,-37.25,;34.65,-35.71,)| Show InChI InChI=1S/C17H10ClN3O3/c18-10-6-5-9-7-11-15(19-17(24)20-16(11)23)21(13(9)8-10)12-3-1-2-4-14(12)22/h1-8,22H,(H,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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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