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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
5
hits in this display
Target
Liver carboxylesterase 1
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM50171920
(2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...)
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Affinity Data
Ki: 1.66E+3nM
Assay Description:
Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
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Target
Liver carboxylesterase 1
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM50171920
(2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.66E+3nM
Assay Description:
Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cocaine esterase
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM50171920
(2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...)
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Affinity Data
Ki: 5.61E+3nM
Assay Description:
Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA
More data for this Ligand-Target Pair
Target Info
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
PC cid
PC sid
In Depth
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Article
PubMed
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Target
Acetylcholinesterase
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM50171920
(2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...)
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Affinity Data
Ki: >1.00E+5nM
Assay Description:
Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase
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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CHEMBL
PC cid
PC sid
In Depth
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Article
PubMed
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Target
Kelch-like ECH-associated protein 1
(Homo sapiens (Human))
University Of Copenhagen
Curated by
ChEMBL
Ligand
BDBM50171920
(2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...)
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Affinity Data
Kd: 1.60E+6nM
Assay Description:
Binding affinity to Keap1 kelch domain (unknown origin) by surface plasmon resonance assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
In Depth
Details
PubMed
Copy BDB DOI