BDBM8436 2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::BI-9B9b::Rhodanine analogue
SMILES: OC(=O)CN1C(=S)S\C(=C/c2ccco2)C1=O
InChI Key: InChIKey=DFCZJGAFQKNSEX-DAXSKMNVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human)) | BDBM8436 (2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NAS of Ukraine Curated by ChEMBL | Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a... | Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anthrax Lethal Factor (LF) (Bacillus anthracis) | BDBM8436 (2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanyl...) | 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 | 1.40E+5 | 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 |