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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
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae)
Merck Sharp & Dohme
US Patent
Ligand
BDBM531000
(4-(4-(2-amino-1- hydroxyethyl)piperidin-1-yl)-N1- ...)
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Affinity Data
IC50: 0.190nM
Assay Description:
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae)
Merck Sharp & Dohme
US Patent
Ligand
BDBM531000
(4-(4-(2-amino-1- hydroxyethyl)piperidin-1-yl)-N1- ...)
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Affinity Data
IC50: 1.34nM
Assay Description:
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
Beta-lactamase
(Pseudomonas aeruginosa)
Merck Sharp & Dohme
US Patent
Ligand
BDBM531000
(4-(4-(2-amino-1- hydroxyethyl)piperidin-1-yl)-N1- ...)
Copy SMILES
Affinity Data
IC50: 2.49nM
Assay Description:
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria))
Merck Sharp & Dohme
US Patent
Ligand
BDBM531000
(4-(4-(2-amino-1- hydroxyethyl)piperidin-1-yl)-N1- ...)
Copy SMILES
Affinity Data
IC50: 4.28nM
Assay Description:
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI