BDBM26583 4-{[(2-carboxy-2-methylethyl)sulfanyl]methyl}-5-methylfuran-2-carboxylic acid::H1-A1NI2, 8

SMILES: CC(CSCc1cc(oc1C)C(O)=O)C(O)=O

InChI Key: InChIKey=ZKIDELUROHTLAV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26583   

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))	BDBM26583 (4-{[(2-carboxy-2-methylethyl)sulfanyl]methyl}-5-me...) Show SMILES CC(CSCc1cc(oc1C)C(O)=O)C(O)=O Show InChI InChI=1S/C11H14O5S/c1-6(10(12)13)4-17-5-8-3-9(11(14)15)16-7(8)2/h3,6H,4-5H2,1-2H3,(H,12,13)(H,14,15)	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	2.20E+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