Found 6 hits in this display 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
(Enterobacter cloacae) | BDBM50033701
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368 |
J Med Chem 38: 1022-34 (1995)
BindingDB Entry DOI: 10.7270/Q29S1Q29 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50033701
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99 |
J Med Chem 38: 1022-34 (1995)
BindingDB Entry DOI: 10.7270/Q29S1Q29 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50033701
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 498 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description Inhibition of Class C beta-lactamase from E. cloacae strain P99 |
Bioorg Med Chem Lett 10: 847-51 (2000)
BindingDB Entry DOI: 10.7270/Q2NG4PVB |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50033701
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310 |
J Med Chem 38: 1022-34 (1995)
BindingDB Entry DOI: 10.7270/Q29S1Q29 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50033701
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus |
Bioorg Med Chem Lett 10: 847-51 (2000)
BindingDB Entry DOI: 10.7270/Q2NG4PVB |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50033701
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University
Curated by ChEMBL
| Assay Description The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus |
Bioorg Med Chem Lett 10: 847-51 (2000)
BindingDB Entry DOI: 10.7270/Q2NG4PVB |
More data for this Ligand-Target Pair | |