BDBM26595 2-(2-{4-[1-(carboxymethyl)-1H-1,3-benzodiazol-2-yl]butyl}-1H-1,3-benzodiazol-1-yl)acetic acid::A1NI2-A3NI1, 20

SMILES: OC(=O)Cn1c(CCCCc2nc3ccccc3n2CC(O)=O)nc2ccccc12

InChI Key: InChIKey=IXOTYZBGMPXQDA-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 = 26595   

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))	BDBM26595 (2-(2-{4-[1-(carboxymethyl)-1H-1,3-benzodiazol-2-yl...) Show SMILES OC(=O)Cn1c(CCCCc2nc3ccccc3n2CC(O)=O)nc2ccccc12 Show InChI InChI=1S/C22H22N4O4/c27-21(28)13-25-17-9-3-1-7-15(17)23-19(25)11-5-6-12-20-24-16-8-2-4-10-18(16)26(20)14-22(29)30/h1-4,7-10H,5-6,11-14H2,(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+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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