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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM360985'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM360985
PNG
(4'-((4R,5S)-4-methyl-2- oxooxazolidin-5-yl)-N4-((R...)
Show SMILES C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0190n/an/an/an/an/an/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


(Klebsiella pneumoniae)
BDBM360985
PNG
(4'-((4R,5S)-4-methyl-2- oxooxazolidin-5-yl)-N4-((R...)
Show SMILES C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0190n/an/an/an/an/an/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


(Serratia marcescens)
BDBM360985
PNG
(4'-((4R,5S)-4-methyl-2- oxooxazolidin-5-yl)-N4-((R...)
Show SMILES C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0410n/an/an/an/an/an/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)
BDBM360985
PNG
(4'-((4R,5S)-4-methyl-2- oxooxazolidin-5-yl)-N4-((R...)
Show SMILES C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0410n/an/an/an/an/an/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