BDBM26599 4-({4-[(4-carboxybenzene)sulfonyl]phenyl}sulfanyl)benzene-1,2-dicarboxylic acid::benzene-1,2-dioic acid, 24

SMILES: OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Sc2ccc(C(O)=O)c(c2)C(O)=O)cc1

InChI Key: InChIKey=LACLXLZSEHMSBB-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26599   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM26599 (4-({4-[(4-carboxybenzene)sulfonyl]phenyl}sulfanyl)...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Sc2ccc(C(O)=O)c(c2)C(O)=O)cc1 Show InChI InChI=1S/C21H14O8S2/c22-19(23)12-1-6-15(7-2-12)31(28,29)16-8-3-13(4-9-16)30-14-5-10-17(20(24)25)18(11-14)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.5	30
University of Southern California					Assay Description To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...				J Med Chem 52: 20-32 (2009) Article DOI: 10.1021/jm800739m BindingDB Entry DOI: 10.7270/Q21J9822
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