Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 50033075
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339140((6S,9S,12S,15S,18S,21S)-1-amino-6-((R)-2-amino-3-m...)copy SMILEScopy InChI
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity to Clostridium botulinum BoNT/AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50308030(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50308030(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339144(CHEMBL1688560 | rac-7-((2-fluorophenyl)(pyridin-3-...)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339141(CHEMBL1688557 | rac-7-(phenyl(quinolin-8-ylamino)m...)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339141(CHEMBL1688557 | rac-7-(phenyl(quinolin-8-ylamino)m...)copy SMILEScopy InChI
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339144(CHEMBL1688560 | rac-7-((2-fluorophenyl)(pyridin-3-...)copy SMILEScopy InChI
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM47307(BDBM50339143 | US9023354, AD4-10942)copy SMILEScopy InChI
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM47307(BDBM50339143 | US9023354, AD4-10942)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed