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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
12
hits in this display
Target
Prostaglandin E synthase
(Homo sapiens (Human))
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
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Affinity Data
IC50: 3nM
Assay Description:
Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
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Article
PubMed
PDB
3D Structure (crystal)
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Target
Prostaglandin E synthase 2
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
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Copy InChI
Affinity Data
IC50: 3nM
Assay Description:
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
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Target
Prostaglandin E synthase
(Homo sapiens (Human))
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 23nM
Assay Description:
Inhibition of recombinant human mPGES-1 expressed in human 293E cell microsomes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by...
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
PDB
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Thromboxane-A synthase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
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Affinity Data
IC50: 950nM
Assay Description:
Inhibition of TX synthase
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
PDB
Similars
In Depth
Details
Article
PubMed
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Target
Thromboxane-A synthase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 950nM
Assay Description:
In vitro inhibition against human Thromboxane synthase
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Prostaglandin E synthase
(Homo sapiens (Human))
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 960nM
Assay Description:
Inhibition of purified mPGES-1 (1 to 152) (unknown origin) extracted from detergent-solubilized baculovirus-infected insect Sf9 cell membranes using ...
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
PDB
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Thromboxane-A synthase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+3nM
Assay Description:
Inhibition of TX synthase
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Prostaglandin E synthase 2
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+3nM
Assay Description:
Inhibition of mPGES2
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+3nM
Assay Description:
Inhibition of FLAP
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
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+3nM
Assay Description:
In vitro binding affinity against FLAP (5-Lipoxygenase activation protein)
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
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Prostaglandin E synthase 2
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+3nM
Assay Description:
In vitro inhibition against recombinant human mPGES-2
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Prostaglandin E synthase 2
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+3nM
Assay Description:
Inhibition of human mPGES2
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI