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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 50212641   
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
Beta-lactamase


(Proteus mirabilis)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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n/an/a 3.57n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase BRO-1


(Moraxella catarrhalis)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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n/an/a 10.7n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB

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B.MOAD
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n/an/a 14.3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase SHV-1


(Klebsiella pneumoniae (Enterobacteria))
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB

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B.MOAD
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n/an/a 17.8n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacteroides fragilis)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 46.4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 46.4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella oxytoca)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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n/an/a 285n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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n/an/a 713n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB
MMDB

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B.MOAD
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50212641
PNG
(Brobactam)
Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
PDB
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair