Compile Data Set for Download or QSAR
Report error Found 9 Enz. Inhib. hit(s) with all data for entry = 50042469
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Competitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267(chicoric acid | D-chicoric acid | (2S,3S)-2,3-Bis-...)
Affinity DataKi:  1.40E+3nMAssay Description:Competitive inhibition of Clostridium botulinum full length BoNT/A light chain (1-448) using truncated SNAP 25 (141-206) peptide as substrate by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267(chicoric acid | D-chicoric acid | (2S,3S)-2,3-Bis-...)
Affinity DataKi:  1.60E+3nMAssay Description:Uncompetitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267(chicoric acid | D-chicoric acid | (2S,3S)-2,3-Bis-...)
Affinity DataKi:  3.90E+3nMAssay Description:Uncompetitive inhibition of Clostridium botulinum full length BoNT/A light chain (1-448) using truncated SNAP 25 (141-206) peptide as substrate by LC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  5.60E+3nMAssay Description:Competitive inhibition of Clostridium botulinum full length BoNT/A light chain (1-448) using truncated SNAP 25 (141-206) peptide as substrate by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM43865(6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carbox...)
Affinity DataKi:  6.70E+3nMAssay Description:Uncompetitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267(chicoric acid | D-chicoric acid | (2S,3S)-2,3-Bis-...)
Affinity DataKi:  6.70E+3nMAssay Description:Competitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM43865(6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carbox...)
Affinity DataKi:  6.70E+3nMAssay Description:Competitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM43865(6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carbox...)
Affinity DataKi:  2.50E+4nMAssay Description:Competitive inhibition of Clostridium botulinum full length BoNT/A light chain (1-448) using truncated SNAP 25 (141-206) peptide as substrate by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed