BDBM26588 2-[10-(carboxymethyl)-6,12-dioxo-5,11-dioxatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),8-trien-4-yl]acetic acid::H1-A1NI2, 13

SMILES: OC(=O)CC1OC(=O)c2cc3C(CC(O)=O)OC(=O)c3cc12

InChI Key: InChIKey=IUKYJNCDSUILBM-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 = 26588   

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))	BDBM26588 (2-[10-(carboxymethyl)-6,12-dioxo-5,11-dioxatricycl...) Show SMILES OC(=O)CC1OC(=O)c2cc3C(CC(O)=O)OC(=O)c3cc12 Show InChI InChI=1S/C14H10O8/c15-11(16)3-9-5-1-7-6(2-8(5)14(20)21-9)10(4-12(17)18)22-13(7)19/h1-2,9-10H,3-4H2,(H,15,16)(H,17,18)	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	1.10E+4	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