Found 2 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
(Escherichia coli) | BDBM50114513
(CHEMBL44813 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3| Show InChI InChI=1S/C18H14F3N3O6S/c19-18(20,21)9-23-13(25)5-4-10-8-31(29,30)16-12(7-11-3-1-2-6-22-11)15(26)24(16)14(10)17(27)28/h1-7,16H,8-9H2,(H,23,25)(H,27,28)/p-1/b5-4+,12-7-/t16-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 78 | 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) | BDBM50114513
(CHEMBL44813 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3| Show InChI InChI=1S/C18H14F3N3O6S/c19-18(20,21)9-23-13(25)5-4-10-8-31(29,30)16-12(7-11-3-1-2-6-22-11)15(26)24(16)14(10)17(27)28/h1-7,16H,8-9H2,(H,23,25)(H,27,28)/p-1/b5-4+,12-7-/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.18E+3 | 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 | |