BDBM8447 2-[(5Z)-5-[(5-{[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}thiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::ChemBiolDrugDes71131 Compound 67::Rhodanine-thiophene analogue 12
SMILES: OC(=O)CN1C(=S)S\C(=C/c2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)s2)C1=O
InChI Key: InChIKey=YWMLTQGMYQMDLV-UIYSNZQUSA-N
Data: 2 IC50
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) | BDBM8447 (2-[(5Z)-5-[(5-{[(5Z)-3-(carboxymethyl)-4-oxo-2-sul...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research | Assay Description The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor... | Chem Biol Drug Des 71: 131-9 (2008) Article DOI: 10.1111/j.1747-0285.2007.00617.x BindingDB Entry DOI: 10.7270/Q2KW5DCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anthrax Lethal Factor (LF) (Bacillus anthracis) | BDBM8447 (2-[(5Z)-5-[(5-{[(5Z)-3-(carboxymethyl)-4-oxo-2-sul...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 |