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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Antrax lethal toxin' and Ligand = 'BDBM50294336'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Antrax lethal toxin


(Bacillus anthracis)
BDBM50294336
PNG
(5-amino-2-(4-aminophenylamino)benzenesulfonic acid...)
Show SMILES Nc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1
Show InChI InChI=1S/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)
PDB
MMDB

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
560n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal factor assessed as cleavage of MAPKK by fluorescence peptide cleavage assay


Bioorg Med Chem 17: 3352-68 (2009)


Article DOI: 10.1016/j.bmc.2009.03.040
BindingDB Entry DOI: 10.7270/Q2D50N0X
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50294336
PNG
(5-amino-2-(4-aminophenylamino)benzenesulfonic acid...)
Show SMILES Nc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1
Show InChI InChI=1S/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal factor assessed as cleavage of MAPKK by fluorescence peptide cleavage assay


Bioorg Med Chem 17: 3352-68 (2009)


Article DOI: 10.1016/j.bmc.2009.03.040
BindingDB Entry DOI: 10.7270/Q2D50N0X
More data for this
Ligand-Target Pair