BDBM50218938 CHEMBL396753::sodium (8S,9R)-10(E)-ethylidene-4(S)-isopropoxy-11-oxo-1-azatricyclo[7.2.0.03,8]undec-2-enecarboxylate
SMILES: C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O
InChI Key: InChIKey=VDZDNZXKYYQECM-UIXYVRDFSA-M
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SHV-1 beta-lactamase (Klebsiella pneumoniae (Enterobacteria)) | BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 340 | 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 | |||||||||||||
Beta-lactamase (TEM-1) (Escherichia coli) | BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 39 | 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 (Enterobacter cloacae) | BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 341 | 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 |