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BDBM50067069 CHEMBL128220::sodium salt-Sulfuric acid mono-[2-(4-carbamoyl-phenylcarbamoyl)-7-oxo-2,6-diaza-bicyclo[3.2.0]hept-6-yl] ester

SMILES: NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1

InChI Key: InChIKey=XVXWQVXOZZSNED-UHFFFAOYSA-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 = 50067069   
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)
BDBM50067069
PNG
(CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...)
Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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)
BDBM50067069
PNG
(CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...)
Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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)
BDBM50067069
PNG
(CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...)
Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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