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BDBM8440 2-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::BI-11A12::Rhodanine analogue::{5-[5-(2-nitro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid

SMILES: OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O

InChI Key: InChIKey=AMZBKKRYLLGDIF-QPEQYQDCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 8440   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8440
PNG
(2-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methyliden...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O
Show InChI InChI=1S/C16H10N2O6S2/c19-14(20)8-17-15(21)13(26-16(17)25)7-9-5-6-12(24-9)10-3-1-2-4-11(10)18(22)23/h1-7H,8H2,(H,19,20)/b13-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/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