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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
5
hits in this display
Target
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human))
Vitae Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50329314
((S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
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Affinity Data
IC50: 0.740nM
Assay Description:
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader
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
Patents
Similars
In Depth
Details
Article
PubMed
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Target
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human))
Vitae Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50329314
((S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.70nM
Assay Description:
Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader
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
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Vitae Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50329314
((S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
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Affinity Data
IC50: 2.40E+3nM
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
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Vitae Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50329314
((S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
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Copy InChI
Affinity Data
IC50: 1.03E+4nM
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
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Vitae Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM50329314
((S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.16E+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
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI