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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 485.5
BDBM530945
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae)
BDBM530945
(4-[4- (aminomethyl)piperidin-1- yl]-N1-[(3R)-pyrro...)
Show SMILES
NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
0.110
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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 ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae)
BDBM530945
(4-[4- (aminomethyl)piperidin-1- yl]-N1-[(3R)-pyrro...)
Show SMILES
NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
0.530
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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 ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM530945
(4-[4- (aminomethyl)piperidin-1- yl]-N1-[(3R)-pyrro...)
Show SMILES
NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Show InChI
PDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
1.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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 ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair
Beta-lactamase
(Pseudomonas aeruginosa)
BDBM530945
(4-[4- (aminomethyl)piperidin-1- yl]-N1-[(3R)-pyrro...)
Show SMILES
NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Show InChI
PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
1.83
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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 ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair