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

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534919(CHEMBL4555861)
Affinity DataIC50: 900nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534915(CHEMBL4546947)
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM23295((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...)
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534916(CHEMBL4441787)
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50189883(CHEMBL1999371)
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 Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534918(CHEMBL4474592)
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50534917(CHEMBL1933864)
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
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50076267(chicoric acid | D-chicoric acid | (2S,3S)-2,3-Bis-...)
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 Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50189883(CHEMBL1999371)
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 Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50260296(CRATKML | CHEMBL501525)
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 Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed