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BDBM50088818 CHEMBL353978::Sodium; 3-methoxymethyl-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O

InChI Key: InChIKey=KEDIJSGTHCTLIW-WDZFZDKYNA-M

Data: 4 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 4 hits for monomerid = 50088818   
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 class C


(Enterobacter cloacae)
BDBM50088818
PNG
(CHEMBL353978 | Sodium; 3-methoxymethyl-5,5,8-triox...)
Show SMILES COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1/C15H14N2O6S/c1-23-7-9-8-24(21,22)14-11(6-10-4-2-3-5-16-10)13(18)17(14)12(9)15(19)20/h2-6,14H,7-8H2,1H3,(H,19,20)/p-1/b11-6-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50088818
PNG
(CHEMBL353978 | Sodium; 3-methoxymethyl-5,5,8-triox...)
Show SMILES COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1/C15H14N2O6S/c1-23-7-9-8-24(21,22)14-11(6-10-4-2-3-5-16-10)13(18)17(14)12(9)15(19)20/h2-6,14H,7-8H2,1H3,(H,19,20)/p-1/b11-6-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Enterobacter cloacae)
BDBM50088818
PNG
(CHEMBL353978 | Sodium; 3-methoxymethyl-5,5,8-triox...)
Show SMILES COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1/C15H14N2O6S/c1-23-7-9-8-24(21,22)14-11(6-10-4-2-3-5-16-10)13(18)17(14)12(9)15(19)20/h2-6,14H,7-8H2,1H3,(H,19,20)/p-1/b11-6-
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088818
PNG
(CHEMBL353978 | Sodium; 3-methoxymethyl-5,5,8-triox...)
Show SMILES COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1/C15H14N2O6S/c1-23-7-9-8-24(21,22)14-11(6-10-4-2-3-5-16-10)13(18)17(14)12(9)15(19)20/h2-6,14H,7-8H2,1H3,(H,19,20)/p-1/b11-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


Bioorg Med Chem Lett 10: 853-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair