BDBM26610 2-methyl-5-{[(oxolan-2-ylmethyl)sulfanyl]methyl}furan-3-carboxylic acid::furan carboxylic acid analogue, 35

SMILES: Cc1oc(CSCC2CCCO2)cc1C(O)=O

InChI Key: InChIKey=GBNFJRLLOAGPHB-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 = 26610   

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))	BDBM26610 (2-methyl-5-{[(oxolan-2-ylmethyl)sulfanyl]methyl}fu...) Show SMILES Cc1oc(CSCC2CCCO2)cc1C(O)=O Show InChI InChI=1S/C12H16O4S/c1-8-11(12(13)14)5-10(16-8)7-17-6-9-3-2-4-15-9/h5,9H,2-4,6-7H2,1H3,(H,13,14)	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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
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