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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
BDBM50300732
((8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...)
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Copy InChI
Affinity Data
IC50: 34nM
Assay Description:
Inhibition of human BACE1 by FRET
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
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300725
(8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethox...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 100nM
Assay Description:
Inhibition of human BACE1 by FRET
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
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300730
((8S)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 790nM
Assay Description:
Inhibition of human BACE1 by FRET
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
Target
Beta-secretase 2
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300732
((8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.07E+4nM
Assay Description:
Inhibition of human BACE2 by FRET
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
Beta-secretase 2
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300725
(8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethox...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.67E+4nM
Assay Description:
Inhibition of human BACE2 by FRET
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
BDBM50300732
((8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 3.62E+4nM
Assay Description:
Inhibition of human cathepsin D by FRET
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
Cathepsin D
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300725
(8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethox...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7.87E+4nM
Assay Description:
Inhibition of human cathepsin D by FRET
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
BDBM50300730
((8S)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 2.56E+3nM
Assay Description:
Inhibition of BACE1 expressed in CHO cells co-expressing human wild type APP protein 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
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300732
((8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromet...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 80nM
Assay Description:
Inhibition of BACE1 expressed in CHO cells co-expressing human wild type APP protein 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
Target
Beta-secretase 1
(Homo sapiens (Human))
Wyeth Research
Curated by
ChEMBL
Ligand
BDBM50300725
(8-(3-(pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethox...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 190nM
Assay Description:
Inhibition of BACE1 expressed in CHO cells co-expressing human wild type APP protein 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