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Target
Sequence
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IC50
Kd
EC50
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 465.5
BDBM361120
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
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)
BDBM361120
((R)-4-(6-aminopyridin-2-yl)-N1-(pyrrolidin-3-yl)-3...)
Show SMILES
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)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
0.129
n/a
n/a
n/a
n/a
n/a
n/a
Merck Sharp & Dohme Corp.
US Patent
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 ...
US Patent
US10221163 (2019)
BindingDB Entry DOI:
10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair
Beta-lactamase
()
BDBM361120
((R)-4-(6-aminopyridin-2-yl)-N1-(pyrrolidin-3-yl)-3...)
Show SMILES
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)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
0.129
n/a
n/a
n/a
n/a
n/a
n/a
Merck Sharp & Dohme Corp.
US Patent
US Patent
US10544130 (2020)
BindingDB Entry DOI:
10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae)
BDBM361120
((R)-4-(6-aminopyridin-2-yl)-N1-(pyrrolidin-3-yl)-3...)
Show SMILES
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)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
0.148
n/a
n/a
n/a
n/a
n/a
n/a
Merck Sharp & Dohme Corp.
US Patent
US Patent
US10544130 (2020)
BindingDB Entry DOI:
10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae)
BDBM361120
((R)-4-(6-aminopyridin-2-yl)-N1-(pyrrolidin-3-yl)-3...)
Show SMILES
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)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
0.148
n/a
n/a
n/a
n/a
n/a
n/a
Merck Sharp & Dohme Corp.
US Patent
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 ...
US Patent
US10221163 (2019)
BindingDB Entry DOI:
10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2
(Serratia marcescens)
BDBM361120
((R)-4-(6-aminopyridin-2-yl)-N1-(pyrrolidin-3-yl)-3...)
Show SMILES
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)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
1.27
n/a
n/a
n/a
n/a
n/a
n/a
Merck Sharp & Dohme Corp.
US Patent
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 ...
US Patent
US10544130 (2020)
BindingDB Entry DOI:
10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2
(Serratia marcescens)
BDBM361120
((R)-4-(6-aminopyridin-2-yl)-N1-(pyrrolidin-3-yl)-3...)
Show SMILES
Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)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
1.27
n/a
n/a
n/a
n/a
n/a
n/a
Merck Sharp & Dohme Corp.
US Patent
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 ...
US Patent
US10221163 (2019)
BindingDB Entry DOI:
10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair