BDBM119124 (E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa- 1,4-dien-1-yl)methylene]-N-methoxy-undecanamide::E3330-amide

SMILES: CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC

InChI Key: InChIKey=LUUZISKSUIVSEQ-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 = 119124   

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))	BDBM119124 ((E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-...) Show SMILES CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC |w:10.10,c:11,t:18| Show InChI InChI=1S/C22H33NO6/c1-6-7-8-9-10-11-12-13-16(22(26)23-29-5)14-17-15(2)18(24)20(27-3)21(28-4)19(17)25/h14H,6-13H2,1-5H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
Indiana University School of Medicine, Indianapolis, IN 46202, USA					Assay Description E3330 or E3330-amide was preincubated with 2 μL of APE1 (reduced with 1.0 mM DTT for 10 min and then diluted to a concentration of 0.06 mM with ...				Biochemistry 52: 2955-66 (2013) Article DOI: 10.1021/bi400179m BindingDB Entry DOI: 10.7270/Q2TQ605T
					More data for this Ligand-Target Pair