BDBM26586 4-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid::H1-A1NI2, 11

SMILES: OC(=O)CCCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12

InChI Key: InChIKey=DDHULUGLYLPFHQ-YPKPFQOOSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26586   

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))	BDBM26586 (4-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...) Show SMILES OC(=O)CCCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C17H14N2O6S2/c20-11(21)6-3-7-18-16(25)14(27-17(18)26)13-9-4-1-2-5-10(9)19(15(13)24)8-12(22)23/h1-2,4-5H,3,6-8H2,(H,20,21)(H,22,23)/b14-13-	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	1.20E+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
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