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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Anthrax Lethal Factor (LF)' and Ligand = 'BDBM8580'   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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MMDB

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Similars

Article
PubMed
4.29E+4 -24.7n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4.29E+4 -24.9n/an/an/an/an/an/a25



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair