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Compile Data Set for Download or QSAR

Found 72 hits of ic50 for monomerid = 50021959   
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


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli CTX-M-15


Antimicrob Agents Chemother 51: 3089-95 (2007)


Article DOI: 10.1128/AAC.00218-07
BindingDB Entry DOI: 10.7270/Q2BG2NR1
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter gillenii)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



H�pital de Bic�tre

Curated by ChEMBL


Assay Description
Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B


Antimicrob Agents Chemother 51: 1365-72 (2007)


Article DOI: 10.1128/AAC.01152-06
BindingDB Entry DOI: 10.7270/Q2S46SS7
More data for this
Ligand-Target Pair
Beta-lactamase


(Salmonella enterica subsp. enterica serovar Westha...)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre National de R£f£rence des Salmonella

Curated by ChEMBL


Assay Description
Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53


Antimicrob Agents Chemother 53: 1944-51 (2009)


Article DOI: 10.1128/AAC.01581-08
BindingDB Entry DOI: 10.7270/Q2445MRF
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase


J Med Chem 41: 3961-71 (1998)


Article DOI: 10.1021/jm980023c
BindingDB Entry DOI: 10.7270/Q2HT2NF0
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-55


Antimicrob Agents Chemother 52: 1897-8 (2008)


Article DOI: 10.1128/AAC.01525-07
BindingDB Entry DOI: 10.7270/Q2PV6KKC
More data for this
Ligand-Target Pair
Beta-lactamase SHV-1


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 20.1n/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
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 25.1n/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 SHV-1


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli SHV1


J Med Chem 50: 4113-21 (2007)


Article DOI: 10.1021/jm0703237
BindingDB Entry DOI: 10.7270/Q2FF3T5F
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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US Patent
n/an/a 29.5n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli TEM1


J Med Chem 50: 4113-21 (2007)


Article DOI: 10.1021/jm0703237
BindingDB Entry DOI: 10.7270/Q2FF3T5F
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella oxytoca)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30.1n/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 BRO-1


(Moraxella catarrhalis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30.1n/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 SHV-1


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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US Patent
n/an/a 30.3n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas luteola)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Institut Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas luteola LAM Beta-lactamase LUT-1


Antimicrob Agents Chemother 54: 45-51 (2010)


Article DOI: 10.1128/AAC.00427-09
BindingDB Entry DOI: 10.7270/Q2KS6VCC
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for beta-lactamase inhibition activity of Escherichia coli after 15 min of preincubation with the enzyme at 37 degree C


Bioorg Med Chem Lett 7: 2217-2222 (1997)


Article DOI: 10.1016/S0960-894X(97)00401-0
BindingDB Entry DOI: 10.7270/Q2M32VR6
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 40.2n/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 TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 65.3n/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


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Institut Pasteur Hellenique

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase SCO1


Antimicrob Agents Chemother 51: 2185-8 (2007)


Article DOI: 10.1128/AAC.01439-06
BindingDB Entry DOI: 10.7270/Q2028SFP
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



CHU Clermont-Ferrand

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-1


Antimicrob Agents Chemother 51: 4181-3 (2007)


Article DOI: 10.1128/AAC.00614-07
BindingDB Entry DOI: 10.7270/Q2H131TX
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate


J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair
Class A beta-lactamase BCL-1


(Bacillus clausii)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



H�pital de Bic�tre

Curated by ChEMBL


Assay Description
Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)


Antimicrob Agents Chemother 51: 4009-14 (2007)


Article DOI: 10.1128/AAC.00537-07
BindingDB Entry DOI: 10.7270/Q20R9QBS
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 95.4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Proteus mirabilis C889 beta-lactamase assessed as inhibition of nitrocefin hydrolysis preincubated for 5 mins by microtiter plate assay


J Nat Prod 57: 654-7 (1994)


Article DOI: 10.1021/np50107a016
BindingDB Entry DOI: 10.7270/Q2SQ935W
More data for this
Ligand-Target Pair
Beta-lactamase SHV-1


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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2.00E+3n/a 100n/an/an/an/a7.4n/a



Case Western Reserve University



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...


Biochemistry 54: 734-43 (2015)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q2736PNW
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Hellenic Pasteur Institute

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase


Antimicrob Agents Chemother 54: 1331-3 (2010)


Article DOI: 10.1128/AAC.01561-09
BindingDB Entry DOI: 10.7270/Q29C6XN5
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



H�pital de Bic�tre

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2


Antimicrob Agents Chemother 54: 533-5 (2010)


Article DOI: 10.1128/AAC.00859-09
BindingDB Entry DOI: 10.7270/Q2G163PS
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



H�pital de Bic�tre

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1


Antimicrob Agents Chemother 54: 533-5 (2010)


Article DOI: 10.1128/AAC.00859-09
BindingDB Entry DOI: 10.7270/Q2G163PS
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JT4 beta-lactamase TEM1 assessed as inhibition of nitrocefin hydrolysis preincubated for 5 mins by microtiter plate as...


J Nat Prod 57: 654-7 (1994)


Article DOI: 10.1021/np50107a016
BindingDB Entry DOI: 10.7270/Q2SQ935W
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Russell beta-lactamase assessed as inhibition of nitrocefin hydrolysis pre-incubated for 5 mins by microtiter pla...


J Nat Prod 57: 654-7 (1994)


Article DOI: 10.1021/np50107a016
BindingDB Entry DOI: 10.7270/Q2SQ935W
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Institut Pasteur Hellenique

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K12 TEM1


Antimicrob Agents Chemother 51: 2185-8 (2007)


Article DOI: 10.1128/AAC.01439-06
BindingDB Entry DOI: 10.7270/Q2028SFP
More data for this
Ligand-Target Pair
Beta-lactamase SHV-1


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1


Antimicrob Agents Chemother 52: 1806-11 (2008)


Article DOI: 10.1128/AAC.01381-07
BindingDB Entry DOI: 10.7270/Q2TM7B93
More data for this
Ligand-Target Pair
Beta-lactamase SHV-1


(Klebsiella pneumoniae (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1


Antimicrob Agents Chemother 52: 1897-8 (2008)


Article DOI: 10.1128/AAC.01525-07
BindingDB Entry DOI: 10.7270/Q2PV6KKC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacteroides fragilis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 251n/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 OXA-1


(Escherichia coli (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 401n/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


(Pseudomonas aeruginosa (PAO1))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa


J Med Chem 41: 3961-71 (1998)


Article DOI: 10.1021/jm980023c
BindingDB Entry DOI: 10.7270/Q2HT2NF0
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72


Antimicrob Agents Chemother 52: 1806-11 (2008)


Article DOI: 10.1128/AAC.01381-07
BindingDB Entry DOI: 10.7270/Q2TM7B93
More data for this
Ligand-Target Pair
Class D beta-lactamase


(Brachyspira pilosicoli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institut Pasteur

Curated by ChEMBL


Assay Description
Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by...


Antimicrob Agents Chemother 52: 1264-8 (2008)


Article DOI: 10.1128/AAC.00684-07
BindingDB Entry DOI: 10.7270/Q26W9B91
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate


J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



CHU Clermont-Ferrand

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158


Antimicrob Agents Chemother 51: 4181-3 (2007)


Article DOI: 10.1128/AAC.00614-07
BindingDB Entry DOI: 10.7270/Q2H131TX
More data for this
Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC


(Klebsiella pneumoniae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Service de Bactériologie-Virologie, Hôpital de Bicêtre

Curated by ChEMBL


Assay Description
Inhibition of carbapenem-resistant Klebsiella pneumoniae carbepenem-hydrolyzing beta-lactamase KPC-1


Antimicrob Agents Chemother 54: 328-32 (2009)


Article DOI: 10.1128/AAC.00961-09
BindingDB Entry DOI: 10.7270/Q2ZW1M3F
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.60E+4n/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
Beta-lactamase


(Enterobacter cloacae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from E. coli TEM2 using penicillin G (40 uM) as a substrate


J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Lek d.d.

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity towards Class A TEM-1 beta-lactamase from Escherichia coli at 0.3 umol


Bioorg Med Chem Lett 12: 971-5 (2002)


BindingDB Entry DOI: 10.7270/Q2NC61S9
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 3.16E+4n/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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a<4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme


J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Beta-lactamase


(Serratia fonticola)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 7.28E+4n/an/an/an/an/an/a



University of Aveiro

Curated by ChEMBL


Assay Description
Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE


Antimicrob Agents Chemother 51: 4512-4 (2007)


Article DOI: 10.1128/AAC.00491-07
BindingDB Entry DOI: 10.7270/Q2PK0FX5
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 7.53E+4n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 9.54E+4n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
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