Compile Data Set for Download or QSAR
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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((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...)
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 DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
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 DepthDetails ArticlePubMed

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
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 DepthDetails ArticlePubMed

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
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 DepthDetails ArticlePubMed

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM23274((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...)
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 DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM43865(6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...)
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 DepthDetails ArticlePubMed

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50076267((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
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 DepthDetails ArticlePubMed

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM43865(6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...)
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 DepthDetails ArticlePubMed

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM43865(6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...)
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 DepthDetails ArticlePubMed