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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
4
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Target
Acetylcholinesterase
(Mus musculus (mouse))
Ume£
Curated by
ChEMBL
Ligand
BDBM55727
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
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Affinity Data
IC50: 26nM
Assay Description:
Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
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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PC cid
PC sid
PDB
Similars
In Depth
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Article
PubMed
PDB
3D Structure (crystal)
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Target
Acetylcholinesterase
(Homo sapiens (Human))
Ume£
Curated by
ChEMBL
Ligand
BDBM55727
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
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Affinity Data
IC50: 30nM
Assay Description:
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
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Target
Acetylcholinesterase
(Anopheles gambiae)
Ume£
Curated by
ChEMBL
Ligand
BDBM55727
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
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Affinity Data
IC50: 260nM
Assay Description:
Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
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Target
Neutrophil cytosol factor 1 [S99G]
(Homo sapiens (Human))
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM55727
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
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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
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI