Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 50010068
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534918(CHEMBL4474592)copy SMILEScopy InChI
Affinity DataKi:  41nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/A using N(K)-acetyl)-SNKTRIDEANQRATKML-carboxamide as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534917(CHEMBL1933864)copy SMILEScopy InChI
Affinity DataKi:  330nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/A using N(K)-acetyl)-SNKTRIDEANQRATKML-carboxamide as substrateMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50076267((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)copy SMILEScopy InChI
Affinity DataKi:  700nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain using SNAP-25 as substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50189883(CHEMBL1999371)copy SMILEScopy InChI
Affinity DataKi:  1.29E+3nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/E using SNAP-25 as substrate after 15 mins by HPLC based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50260296(CHEMBL501525 | CRATKML)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/A using N(K)-acetyl)-SNKTRIDEANQRATKML-carboxamide as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM23274((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...)copy SMILEScopy InChI
Affinity DataIC50: 410nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/A using SNAP-25 as substrate by FRET analysisMore data for this Ligand-Target Pair
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534919(CHEMBL4555861)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chainMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534915(CHEMBL4546947)copy SMILEScopy InChI
Affinity DataIC50: 1.42E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM23295((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/A using SNAP-25 as substrate by FRET analysisMore data for this Ligand-Target Pair
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534916(CHEMBL4441787)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50189883(CHEMBL1999371)copy SMILEScopy InChI
Affinity DataIC50: 4.85E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3QPJPubMed