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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Anthrax Lethal Factor (LF)' and Ligand = 'BDBM11982'   
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)
BDBM11982
PNG
(2-{[(2-amino-2-carboxyethyl)sulfanyl]methyl}-5-phe...)
Show SMILES NC(CSCc1oc(cc1C(O)=O)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H15NO5S/c16-11(15(19)20)7-22-8-13-10(14(17)18)6-12(21-13)9-4-2-1-3-5-9/h1-6,11H,7-8,16H2,(H,17,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.90E+3 -31.8 4.10E+3n/an/an/an/a7.227



Montana State University



Assay Description
For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...


J Med Chem 49: 5232-44 (2006)


Article DOI: 10.1021/jm0605132
BindingDB Entry DOI: 10.7270/Q20C4T19
More data for this
Ligand-Target Pair