BDBM26585 3-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid::H1-A1NI2, 10

SMILES: OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12

InChI Key: InChIKey=BJKJQMFIKYKMMU-SEYXRHQNSA-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 = 26585   

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))	BDBM26585 (3-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...) Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C16H12N2O6S2/c19-10(20)5-6-17-15(24)13(26-16(17)25)12-8-3-1-2-4-9(8)18(14(12)23)7-11(21)22/h1-4H,5-7H2,(H,19,20)(H,21,22)/b13-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	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