Found 3 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 TEM
(Escherichia coli) | BDBM50099192
((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | 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
(Escherichia coli) | BDBM50099192
((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+3 | 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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099192
((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-phenyl-1...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O5S/c1-17(2)13(16(23)24)21-14(22)12(15(21)27(17,25)26)8-10-9-20(19-18-10)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8H2,1-2H3,(H,23,24)/t12-,13+,15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 | |