Found 85 hits for monomerid = 50053173 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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 MMDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 930 | 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 SHV-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
(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 MMDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 930 | 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 Citrobacter freundii 1982 |
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 MMDB
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| Article
| n/a | n/a | 943 | n/a | n/a | n/a | n/a | n/a | n/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
(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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| US Patent
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | 7.0 | n/a |
MEIJI SEIKA PHARMA CO., LTD.
US Patent
| Assay Description For the measurement of β-lactamase inhibitory activity, 100 μM (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% D... |
US Patent US9676777 (2017)
BindingDB Entry DOI: 10.7270/Q2G15Z17 |
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 MMDB
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| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | 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 MMDB
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| Article PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | 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 MMDB
KEGG
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 1.81E+3 | 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
(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 MMDB
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| Article PubMed
| n/a | n/a | 1.90E+3 | 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 Enterobacter cloacae 908R |
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) | 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
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | 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
UniProtKB/TrEMBL
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Patents
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| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (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
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.11E+3 | 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 GN10362 |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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 MMDB
NCI pathway Reactome pathway KEGG
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| | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
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| Article
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 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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Patents
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | 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 Bacteroides fragilis 36 |
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
(Serratia fonticola) | 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
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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 MMDB
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| PubMed
| n/a | n/a | 7.70E+3 | 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 C Beta-lactamase isolated from Enterobacter cloacae |
Bioorg Med Chem Lett 10: 2179-82 (2001)
BindingDB Entry DOI: 10.7270/Q2T15456 |
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 MMDB
KEGG
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Patents
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| Article PubMed
| n/a | n/a | 1.80E+4 | 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 Escherichia coli SN03 |
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
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 3.60E+4 | 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 MK-1184 |
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 MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Beta-lactamase AmpC of class C 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
(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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.80E+4 | 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 AmpC enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.40E+4 | 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 C (Amp-C) 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 MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae AmpC |
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
(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 MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.50E+4 | 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 Ent. cloacae 6300 |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.80E+4 | 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 Bacteroides fragilis 98 |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+5 | 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 CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
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 MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibitory activity against Class C 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
(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
KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.71E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+5 | 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 B (CCRA) 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 | |
Metallo-beta-lactamase L1 type 3
(Stenotrophomonas maltophilia) | 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 MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+6 | 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 Xanthomonas maltophila 328 |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+7 | 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 Bacteroides fragilis BF 101 |
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 MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 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
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr... |
J Med Chem 62: 7160-7184 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M |
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 MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novexel SA
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta-lactamase P99 after 5 seconds incubation with nitrocefin substrate by spectrophotometry |
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 | |