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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lethal factor' and Ligand = 'BDBM50215900'   
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
Lethal factor


(Bacillus anthracis)
BDBM50215900
PNG
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50215900
PNG
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair