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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50021959'   
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


(Mycobacterium tuberculosis H37Rv)
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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6.30E+3n/an/an/an/an/an/a7.2n/a



Indian Institute of Technology



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...


Biochemistry 54: 5657-64 (2015)


Article DOI: 10.1021/acs.biochem.5b00698
BindingDB Entry DOI: 10.7270/Q29W0D7G
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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1.10E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay


Antimicrob Agents Chemother 54: 2867-77 (2010)


Article DOI: 10.1128/AAC.00197-10
BindingDB Entry DOI: 10.7270/Q2QJ7HJP
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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1.08E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Citrobacter freundii beta-lactamase SHV-95


Citation and Details

Article DOI: 10.1007/s00044-011-9736-8
BindingDB Entry DOI: 10.7270/Q2NC643K
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
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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2.27E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Acinetobacter baumannii beta-lactamase SHV-48


Citation and Details

Article DOI: 10.1007/s00044-011-9736-8
BindingDB Entry DOI: 10.7270/Q2NC643K
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


(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


(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


(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


(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


(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


(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


(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
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


(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


(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


(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


(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
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
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


(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
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
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 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for beta-lactamase inhibition activity of Enterobacter cloacae 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


(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>1.00E+5n/an/an/an/an/an/a



Novexel SA

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation


Antimicrob Agents Chemother 54: 5132-8 (2010)


Article DOI: 10.1128/AAC.00568-10
BindingDB Entry DOI: 10.7270/Q2CJ8DSV
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 1.00E+5n/an/an/an/an/an/a



Lek d.d.

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity towards Class C beta-lactamase from Enterobacter cloacae 908R at 0.8 umol concentration


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


BindingDB Entry DOI: 10.7270/Q2NC61S9
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>1.00E+5n/an/an/an/an/an/a



Novexel SA

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation


Antimicrob Agents Chemother 54: 5132-8 (2010)


Article DOI: 10.1128/AAC.00568-10
BindingDB Entry DOI: 10.7270/Q2CJ8DSV
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 1.36E+5n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae AmpC


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


(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 1.38E+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


(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 1.50E+5n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Staphylococcus aureus Russel 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


(Acinetobacter genomosp. 3)
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 2.36E+5n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
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>5.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase ACC4


Antimicrob Agents Chemother 51: 3763-7 (2007)


Article DOI: 10.1128/AAC.00389-07
BindingDB Entry DOI: 10.7270/Q2222THB
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 7.78E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase assessed as inhibition of nitrocefin hydrolysis pre-incubated 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


(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>1.00E+6n/an/an/an/an/an/a



Aventis pharma

Curated by ChEMBL


Assay Description
Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)


Bioorg Med Chem Lett 14: 2489-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.004
BindingDB Entry DOI: 10.7270/Q2W37WWS
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter genomosp. 3)
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 1.46E+6n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
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+6n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to Acinetobacter baumannii ADC-33 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter genomosp. 3)
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 1.93E+6n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18


Antimicrob Agents Chemother 53: 1177-84 (2009)


Article DOI: 10.1128/AAC.00485-08
BindingDB Entry DOI: 10.7270/Q2CN7454
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
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+6n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to Acinetobacter baumannii ADC-11 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
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 3.71E+6n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa A beta-lactamase assessed as inhibition of nitrocefin hydrolysis preincubated for 5 mins by microtiter plate ass...


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


(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 8.03E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C 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


(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 2.15E+9n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C 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