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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
9
hits in this display
Target
Botulinum neurotoxin type A
(Clostridium botulinum)
Microbiotix
Curated by
ChEMBL
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 500nM
Assay Description:
Inhibition of Clostridium botulinum toxin BoNT/A light chain
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
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Article
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
Microbiotix
Curated by
ChEMBL
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 1.60E+3nM
Assay Description:
Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
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In Depth
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Article
PubMed
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Target
Botulinum neurotoxin type A
(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
TBA
Curated by
ChEMBL
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 2.10E+3nM
Assay Description:
Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Botulinum neurotoxin type A
(Clostridium botulinum)
Microbiotix
Curated by
ChEMBL
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.10E+3nM
Assay Description:
Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
(Human)
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 3.35E+3nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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PCBioAssay
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Target
Disintegrin and metalloproteinase domain-containing protein 10
(Human)
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 5.53E+3nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
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Ligand Info
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Target
Disintegrin and metalloproteinase domain-containing protein 17
(Human)
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 9.11E+3nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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PCBioAssay
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Target
Neutrophil cytosol factor 1 [S99G]
(Human)
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
IC50: 5.00E+4nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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CHEMBL
PC cid
PC sid
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In Depth
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PCBioAssay
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Target
Vacuolar aminopeptidase 1
(Baker's yeast)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50308030
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
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Affinity Data
EC50: >3.30E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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CHEMBL
PC cid
PC sid
Patents
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In Depth
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PCBioAssay
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