BDBM26601 2-{3-[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid::oxoindole-thioxothiazolidinone, 26

SMILES: OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12

InChI Key: InChIKey=RQSLTVUOPFHVJT-QXMHVHEDSA-N

Data: 3 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 3 hits for monomerid = 26601   

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))	BDBM26601 (2-{3-[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene...) Show SMILES OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O6S2/c18-9(19)5-16-8-4-2-1-3-7(8)11(13(16)22)12-14(23)17(6-10(20)21)15(24)25-12/h1-4H,5-6H2,(H,18,19)(H,20,21)/b12-11-	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	1.30E+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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM26601 (2-{3-[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene...) Show SMILES OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O6S2/c18-9(19)5-16-8-4-2-1-3-7(8)11(13(16)22)12-14(23)17(6-10(20)21)15(24)25-12/h1-4H,5-6H2,(H,18,19)(H,20,21)/b12-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of full-length microsomal PGES-1 (unknown origin) expressed in Escherichia coli Rosetta(DE3) using PGH2 as substrate assessed as inhibitio...				J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM26601 (2-{3-[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene...) Show SMILES OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O6S2/c18-9(19)5-16-8-4-2-1-3-7(8)11(13(16)22)12-14(23)17(6-10(20)21)15(24)25-12/h1-4H,5-6H2,(H,18,19)(H,20,21)/b12-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of PGES-1 in human whole blood assessed as LPS-induced PGE2 formation incubated for 15 mins prior to LPS addition measured after 24 hrs by...				J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S
					More data for this Ligand-Target Pair