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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
Prostaglandin E synthase
(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50337660
(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
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Affinity Data
IC50: 3nM
Assay Description:
Inhibition of mPGES1
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
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Target
Prostaglandin E synthase
(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50337660
(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
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Copy InChI
Affinity Data
IC50: 330nM
Assay Description:
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsome assessed as inhibition of PGE2 production after 1 min in presence of 50% FBS
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
Prostaglandin E synthase
(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50337660
(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
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Affinity Data
IC50: 7.70E+3nM
Assay Description:
Inhibition of mPGES1 in LPS-stimulated human whole blood assessed as inhibition of PGE2 production
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
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Target
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50337660
(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
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Affinity Data
IC50: 1.06E+4nM
Assay Description:
Inhibition of PGF synthase in IL1-beta treated human A549 cell microsome assessed as inhibition of PGF2alpha production after 1 min in presence of 50...
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
Thromboxane-A synthase
(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50337660
(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
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Affinity Data
IC50: >4.00E+4nM
Assay Description:
Inhibition of TX synthase in LPS-stimulated human whole blood assessed as inhibition of TXB2 production
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI