Compile Data Set for Download or QSAR
maximum 50k data
Found 17 with Last Name = 'shoemaker' and Initial = 'cb'
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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50340404(28-Hemisuccinylbetulin | CHEMBL1761333)
Affinity DataKi:  800nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore 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:  1.40E+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
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:Non-competitive inhibition of Clostridium botulinum neurotoxin serotype A light chain using 66-mer peptide by LC/MS assayMore 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:  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
LigandPNGBDBM50340405(Betulinyl 28-carboxymethoxycarvacrolate | CHEMBL10...)
Affinity DataKi:  1.33E+4nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM23208((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Affinity DataKi:  1.43E+4nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore 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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50340404(28-Hemisuccinylbetulin | CHEMBL1761333)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50340405(Betulinyl 28-carboxymethoxycarvacrolate | CHEMBL10...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM23208((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore 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 DataEC50:  1.31E+5nMAssay Description:Inhibition of Clostridium botulinum neurotoxin serotype A light chain in Sprague-Dawley rat cerebellar granule cells assessed as protection against S...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed