BDBM8421 3-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::Rhodanine-furan analogue 8

SMILES: OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O

InChI Key: InChIKey=JQBXGMWSNAAQLK-ZROIWOOFSA-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 = 8421   

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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM8421 (3-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O Show InChI InChI=1S/C17H12N2O6S2/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-10-5-6-13(25-10)11-3-1-2-4-12(11)19(23)24/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair