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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
10
hits in this display
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
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Affinity Data
IC50: 20nM
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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 20nM
Assay Description:
Inhibition of human BACE1 by FRET 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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 40nM
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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Cathepsin D
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.33E+3nM
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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cathepsin D
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.18E+3nM
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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-secretase 2
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7.54E+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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-secretase 2
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 9.69E+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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 270nM
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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 20nM
Assay Description:
Inhibition of BACE1 by cell-based 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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50303731
((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 70nM
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
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI