BDBM26609 3-[(pyridin-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid::benzofuran carboxylic acid analogue, 34

SMILES: OC(=O)c1oc2ccccc2c1CSc1ccccn1

InChI Key: InChIKey=JDVVQJAUTRWEIF-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 = 26609   

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))	BDBM26609 (3-[(pyridin-2-ylsulfanyl)methyl]-1-benzofuran-2-ca...) Show SMILES OC(=O)c1oc2ccccc2c1CSc1ccccn1 Show InChI InChI=1S/C15H11NO3S/c17-15(18)14-11(9-20-13-7-3-4-8-16-13)10-5-1-2-6-12(10)19-14/h1-8H,9H2,(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	2.70E+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