BDBM8414 (5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one::Rhodanine-furan analogue 1

SMILES: COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1=O

InChI Key: InChIKey=LAEQOMVPHKEMBO-UNOMPAQXSA-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 = 8414   

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)	BDBM8414 ((5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-({5-[3-...) Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C22H14F3NO3S2/c1-28-16-7-5-15(6-8-16)26-20(27)19(31-21(26)30)12-17-9-10-18(29-17)13-3-2-4-14(11-13)22(23,24)25/h2-12H,1H3/b19-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+5	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
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