BDBM26578 3-({5-[(2-carboxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)propanoic acid::A1NI2, 3

SMILES: OC(=O)CCSc1nnc(SCCC(O)=O)s1

InChI Key: InChIKey=NQNRYGGKRLWMRV-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 = 26578   

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))	BDBM26578 (3-({5-[(2-carboxyethyl)sulfanyl]-1,3,4-thiadiazol-...) Show SMILES OC(=O)CCSc1nnc(SCCC(O)=O)s1 Show InChI InChI=1S/C8H10N2O4S3/c11-5(12)1-3-15-7-9-10-8(17-7)16-4-2-6(13)14/h1-4H2,(H,11,12)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+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