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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
8
hits in this display
Target
Beta-secretase 2
(Homo sapiens (Human))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
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Affinity Data
Ki: 1.20nM ΔG°: -53.0kJ/mole
pH: 4.5 T: 2°C
Assay Description:
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...
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 1
(Homo sapiens (Human))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
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Copy InChI
Affinity Data
Ki: 2.5nM ΔG°: -51.1kJ/mole
pH: 4.5 T: 2°C
Assay Description:
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...
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))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.5nM
Assay Description:
In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.
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))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.5nM
Assay Description:
Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...
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))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.5nM ΔG°: -51.1kJ/mole
pH: 4.5 T: 2°C
Assay Description:
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...
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))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2nM
Assay Description:
Compound was tested for its inhibitory activity against human beta-Secretase (BACE)
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))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 3nM
pH: 4.8 T: 2°C
Assay Description:
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...
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))
Purdue University
Ligand
BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 500nM
Assay Description:
Selectivity tested against Beta-secretase 2 (BACE) in human
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