BDBM8419 (5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one::Rhodanine-furan analogue 6

SMILES: O=C1N(CCc2ccccc2)C(=S)S\C1=C/c1ccc(o1)-c1ccccc1N(=O)=O

InChI Key: InChIKey=IDKQUWOGKOJZTC-ZHZULCJRSA-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 = 8419   

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)	BDBM8419 ((5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-...) Show SMILES O=C1N(CCc2ccccc2)C(=S)S\C1=C/c1ccc(o1)-c1ccccc1N(=O)=O Show InChI InChI=1S/C22H16N2O4S2/c25-21-20(30-22(29)23(21)13-12-15-6-2-1-3-7-15)14-16-10-11-19(28-16)17-8-4-5-9-18(17)24(26)27/h1-11,14H,12-13H2/b20-14-	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	3.19E+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