Found 82 hits of ic50 for monomerid = 50053173 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Beta-lactamase
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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...) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Class A beta-lactamase BCL-1
(Bacillus clausii) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | KEGG
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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 TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| US Patent
| n/a | n/a | 17.2 | n/a | n/a | n/a | n/a | 7.0 | 37 |
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
(Proteus mirabilis) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/SwissProt
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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 TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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 SHV-1
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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PubMed
| 220 | n/a | 30 | n/a | n/a | n/a | n/a | 7.4 | n/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 | 
3D Structure (crystal) |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Aveiro
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae IMI1 beta lactamase expressed in Escherichia coli DH5alpha 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
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases |
J Med Chem 47: 3674-88 (2004)
Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT |
More data for this
Ligand-Target Pair | |
Beta-lactamase BRO-1
(Moraxella catarrhalis) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/SwissProt
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| | n/a | n/a | 33.3 | n/a | n/a | n/a | n/a | n/a | n/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
(Pseudomonas luteola) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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
(Citrobacter gillenii) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/TrEMBL
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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
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| DrugBank
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
The R. W. Johnson Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli |
Bioorg Med Chem Lett 10: 2179-82 (2001)
BindingDB Entry DOI: 10.7270/Q2T15456 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/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 TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against TEM-1 enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Klebsiella pneumoniae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Beta-lactamase TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/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
(Citrobacter freundii) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Buenos Aires
Curated by ChEMBL
| Assay Description
Inhibition of Citrobacter freundii PER2 beta lactamase |
Antimicrob Agents Chemother 51: 2359-65 (2007)
Article DOI: 10.1128/AAC.01395-06
BindingDB Entry DOI: 10.7270/Q24X57J4 |
More data for this
Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases |
J Med Chem 47: 3674-88 (2004)
Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme |
J Med Chem 46: 2569-71 (2003)
Article DOI: 10.1021/jm034056q
BindingDB Entry DOI: 10.7270/Q2W66K59 |
More data for this
Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli TEM1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Klebsiella oxytoca) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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 SHV-1
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Beta-lactamase TEM
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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 SHV-1
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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 |
3D Structure (crystal) |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from RTEM-3 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Class D beta-lactamase
(Brachyspira pilosicoli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | KEGG
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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
(Staphylococcus aureus) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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
(Citrobacter freundii) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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
(Morganella morganii) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of beta-Lactamases from Morganell morgani U1627 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase SHV-1
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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US Patent
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | 7.0 | 37 |
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 |
3D Structure (crystal) |
Beta-lactamase SHV-1
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Beta-lactamase
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from OXA-1 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase |
Bioorg Med Chem Lett 12: 1663-6 (2002)
BindingDB Entry DOI: 10.7270/Q2MC8ZB3 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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 | |
Carbapenem-hydrolyzing beta-lactamase KPC
(Klebsiella pneumoniae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Carbapenem-hydrolyzing beta-lactamase KPC
(Klebsiella pneumoniae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 374 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Aveiro
Curated by ChEMBL
| Assay Description
Inhibition of Klebsiella pneumoniae KPC-1 beta lactamase expressed in Escherichia coli DH5alpha 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
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from RTEM-1 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase OXA-1
(Escherichia coli (Enterobacteria)) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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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
(Staphylococcus aureus) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from Staphylococcus aureus PCI |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Burkholderia cenocepacia) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | UniProtKB/TrEMBL
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H�pital de Bic�tre
Curated by ChEMBL
| Assay Description
Inhibition of Burkholderia cenocepacia 07-34 beta-lactamase PenB1 |
Antimicrob Agents Chemother 53: 876-82 (2009)
Article DOI: 10.1128/AAC.00946-08
BindingDB Entry DOI: 10.7270/Q20002BX |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Bacillus licheniformis) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from Bacillus licheniformis 749/C |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from PSE-1 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from RTEM-2 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa 18SH |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
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F. Hoffmann-LaRoche Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Beta-lactamase fromOXA-2 |
J Med Chem 39: 3712-22 (1996)
Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99 |
More data for this
Ligand-Target Pair | |
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