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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
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Affinity Data
IC50: 1.40nM
Assay Description:
Inhibition of CYP3A4
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
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Affinity Data
IC50: 4nM
Assay Description:
Inhibition of CYP2D6
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
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Affinity Data
IC50: 4.80nM
Assay Description:
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Amira Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
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Copy InChI
Affinity Data
IC50: 9.10nM
Assay Description:
Inhibition of CYP2C9
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI