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SMILES: CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O

InChI Key: InChIKey=FRMKQGWCIKABQF-UHFFFAOYSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50067070   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-lactamase


(Enterobacter cloacae)
BDBM50067070
PNG
(CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...)
Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
BindingDB Entry DOI: 10.7270/Q2571CPG
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50067070
PNG
(CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...)
Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
BindingDB Entry DOI: 10.7270/Q2571CPG
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50067070
PNG
(CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...)
Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 165n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase of Escherichia coli TEM-3 (class C)


J Med Chem 41: 3972-5 (1998)


Article DOI: 10.1021/jm9800245
BindingDB Entry DOI: 10.7270/Q2571CPG
More data for this
Ligand-Target Pair