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BDBM50284783 CHEMBL37794::Sodium; (R)-3-acetoxymethyl-7-methylene-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O

InChI Key: InChIKey=SUKFPPMYJISQEB-SNVBAGLBSA-M

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50284783   
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)
BDBM50284783
PNG
(CHEMBL37794 | Sodium; (R)-3-acetoxymethyl-7-methyl...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H11NO7S/c1-5-9(14)12-8(11(15)16)7(3-19-6(2)13)4-20(17,18)10(5)12/h10H,1,3-4H2,2H3,(H,15,16)/p-1/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50284783
PNG
(CHEMBL37794 | Sodium; (R)-3-acetoxymethyl-7-methyl...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H11NO7S/c1-5-9(14)12-8(11(15)16)7(3-19-6(2)13)4-20(17,18)10(5)12/h10H,1,3-4H2,2H3,(H,15,16)/p-1/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50284783
PNG
(CHEMBL37794 | Sodium; (R)-3-acetoxymethyl-7-methyl...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H11NO7S/c1-5-9(14)12-8(11(15)16)7(3-19-6(2)13)4-20(17,18)10(5)12/h10H,1,3-4H2,2H3,(H,15,16)/p-1/t10-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2


Bioorg Med Chem Lett 5: 1513-1518 (1995)


Article DOI: 10.1016/0960-894X(95)00249-S
BindingDB Entry DOI: 10.7270/Q2ZW1MDG
More data for this
Ligand-Target Pair