BDBM26587 2-{[3-(1-carboxyethoxy)-9-oxo-8-oxatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2(7),3,5,10,12-hexaen-5-yl]oxy}propanoic acid::H1-A1NI2, 12

SMILES: CC(Oc1cc(OC(C)C(O)=O)c2c(c1)oc(=O)c1ccccc21)C(O)=O

InChI Key: InChIKey=UZFGLYBIRURIOB-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 = 26587   

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))	BDBM26587 (2-{[3-(1-carboxyethoxy)-9-oxo-8-oxatricyclo[8.4.0....) Show SMILES CC(Oc1cc(OC(C)C(O)=O)c2c(c1)oc(=O)c1ccccc21)C(O)=O Show InChI InChI=1S/C19H16O8/c1-9(17(20)21)25-11-7-14(26-10(2)18(22)23)16-12-5-3-4-6-13(12)19(24)27-15(16)8-11/h3-10H,1-2H3,(H,20,21)(H,22,23)	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	8.00E+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
					More data for this Ligand-Target Pair