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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
Beta-secretase 1
(Homo sapiens (Human))
Glaxosmithkline
Curated by
ChEMBL
Ligand
BDBM50322877
(CHEMBL1210329 | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...)
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Affinity Data
IC50: 15nM
Assay Description:
Inhibition of BACE1
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Glaxosmithkline
Curated by
ChEMBL
Ligand
BDBM50322877
(CHEMBL1210329 | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 510nM
Assay Description:
Inhibition of BACE1 assessed as inhibition of amyloid beta-42 production 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
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Glaxosmithkline
Curated by
ChEMBL
Ligand
BDBM50322877
(CHEMBL1210329 | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 570nM
Assay Description:
Inhibition of BACE1 assessed as inhibition of amyloid beta-40 production 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
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-secretase 2
(Homo sapiens (Human))
Glaxosmithkline
Curated by
ChEMBL
Ligand
BDBM50322877
(CHEMBL1210329 | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 655nM
Assay Description:
Inhibition of BACE2
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cathepsin D
(Homo sapiens (Human))
Glaxosmithkline
Curated by
ChEMBL
Ligand
BDBM50322877
(CHEMBL1210329 | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLA...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 660nM
Assay Description:
Inhibition of Cathepsin D
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
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI