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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
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303756
((S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-...)
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Affinity Data
IC50: 1.39E+3nM
Assay Description:
Inhibition of human BACE1 by FRET based peptide cleavage assay
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
Patents
Similars
In Depth
Details
Article
PubMed
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Target
Beta-secretase 2
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303756
((S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-...)
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Copy InChI
Affinity Data
IC50: 9.97E+3nM
Assay Description:
Inhibition of human BACE2 by FRET based peptide cleavage assay
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cathepsin D
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303756
((S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-...)
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Affinity Data
IC50: 1.16E+4nM
Assay Description:
Inhibition of human cathepsin D by FRET based peptide cleavage assay
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
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303756
((S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 2.80E+3nM
Assay Description:
Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA
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
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI