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BDBM50240349 CHEMBL9306::Lithium; (2R,5R)-3-[2-hydroxy-eth-(Z)-ylidene]-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]heptane-2-carboxylate::lithium (2R,5R,Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

SMILES: OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O

InChI Key: InChIKey=HZZVJAQRINQKSD-PBFISZAISA-M

Data: 1 IC50  1 Kd

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50240349   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Enterobacter cloacae)
BDBM50240349
PNG
(CHEMBL9306 | Lithium; (2R,5R)-3-[2-hydroxy-eth-(Z)...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kd of the compound for TEM-1 beta-lactamase


Bioorg Med Chem Lett 5: 1043-1048 (1995)


Article DOI: 10.1016/0960-894X(95)00162-M
BindingDB Entry DOI: 10.7270/Q2K64J1J
More data for this
Ligand-Target Pair
PER-2 beta-lactamase


(Citrobacter freundii)
BDBM50240349
PNG
(CHEMBL9306 | Lithium; (2R,5R)-3-[2-hydroxy-eth-(Z)...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Citrobacter freundii PER2 beta lactamase


Antimicrob Agents Chemother 51: 2359-65 (2007)


Article DOI: 10.1128/AAC.01395-06
BindingDB Entry DOI: 10.7270/Q24X57J4
More data for this
Ligand-Target Pair