Compile Data Set for Download or QSAR
Report error Found 19 Enz. Inhib. hit(s) with all data for entry = 50011424
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 410nMAssay Description:Inhibition of Clostridium botulinum BoNT/AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546873(CHEMBL4788170)
Affinity DataIC50: 5.70E+3nMAssay Description:Reversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546871(CHEMBL4745069)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/A intoxicated in hiPSC-derived neurons assessed as reduction in SNAP-25 cleavage using SNAP-25 as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546872(CHEMBL4761825)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/A intoxicated in hiPSC-derived neurons assessed as reduction in SNAP-25 cleavage using SNAP-25 as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546870(CHEMBL4790141)
Affinity DataIC50: 5.90E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/A intoxicated in hiPSC-derived neurons assessed as reduction in SNAP-25 cleavage using SNAP-25 as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Inhibition of Clostridium botulinum BoNT/A using SNAP-25 (141-206) as substrate by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546871(CHEMBL4745069)
Affinity DataKi:  2.00E+3nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048539(CHEMBL3309328)
Affinity DataKi:  7.70E+3nMAssay Description:Irreversible inhibition of recombinant Clostridium botulinum N-terminal 6His-tagged BoNT/A (Met1 to Phe425 residues) catalytic domain expressed in Es...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546870(CHEMBL4790141)
Affinity DataKi:  8.90E+3nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546872(CHEMBL4761825)
Affinity DataKi:  1.70E+4nMAssay Description:Time dependent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate by me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546874(CHEMBL4795025)
Affinity DataKi:  3.20E+4nMAssay Description:Time dependent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate by me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546876(CHEMBL4787837)
Affinity DataKi:  3.80E+4nMAssay Description:Time dependent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate by me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546880(CHEMBL4799810)
Affinity DataKi:  4.10E+4nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide as substrate preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546875(CHEMBL4746123)
Affinity DataKi:  4.80E+4nMAssay Description:Time dependent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate by me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048539(CHEMBL3309328)
Affinity DataKi:  5.20E+4nMAssay Description:Covalent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546878(CHEMBL4790780)
Affinity DataKi:  6.60E+4nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide as substrate preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546877(CHEMBL4743480)
Affinity DataKi:  8.80E+4nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546879(CHEMBL4787587)
Affinity DataKi:  8.80E+4nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide as substrate preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Boston University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50546881(CHEMBL4761785)
Affinity DataKi:  9.98E+5nMAssay Description:Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide as substrate preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed