BDBM23274 (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide::BMC173072 Compound 2::BMCL176463 Compound 2::Cinnamic hydroxamate deriv., 18

SMILES c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO

InChI Key InChIKey=LHTLDFWBUPYUDR-UHFFFAOYSA-N

Data  9 KI  14 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 23274   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

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:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

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)
University of California San Diego

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)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 670nMAssay Description:Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 410nMAssay Description:Inhibition of Clostridium botulinum toxin BoNT/A light chainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 300nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain using SNAPtide as substrate by FRET based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 400nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain using SNAPtide as substrate by HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 9.00E+5nMAssay Description:Inhibition of Clostridium botulinum BoNT/A expressed in rat spinal cord neuron assessed as decrease in SNAP25 cleavage up to 600 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 900nMAssay Description:Inhibition of Clostridium botulinum BoNT/AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
The Scripps Research Institute

LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 900nMpH: 7.4 T: 2°CAssay Description:Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2008
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 670nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
The Scripps Research Institute

LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 2.40E+3nMpH: 7.4 T: 2°CAssay Description:Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
The Scripps Research Institute

LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataIC50: 410nMpH: 7.4 T: 2°CAssay Description:Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2008
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Binding affinity to Clostridium botulinum BoNT/A light chain assessed as inhibition constant using SNAPtide as substrate by HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition constant at 10 nM using SNAPtide flp6 as substrate measured after 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

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)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Inhibition of Clostridium botulinum toxin BoNT/A light chainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

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)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  300nMAssay Description:Competitive inhibition of Clostridium botulinum BoNT/A Hall A hyper protease light chain (1-425aa) using SNAP-66mer (141-206aa) as substrate by FRET ...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)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM23274(BMCL176463 Compound 2 | BMC173072 Compound 2 | (2E...)
Affinity DataKi:  460nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of California San Diego

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)