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BDBM50053178 CHEMBL333581::Sodium; (2S,3S,5R)-3-((Z)-2-chloro-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

SMILES: C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O

InChI Key: InChIKey=ISYGWZIHSBOAJB-ZODVRANESA-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 = 50053178   
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)
BDBM50053178
PNG
(CHEMBL333581 | Sodium; (2S,3S,5R)-3-((Z)-2-chloro-...)
Show SMILES C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/p-1/b3-2-/t6-,7+,9+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Escherichia coli AmpC ,class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50053178
PNG
(CHEMBL333581 | Sodium; (2S,3S,5R)-3-((Z)-2-chloro-...)
Show SMILES C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/p-1/b3-2-/t6-,7+,9+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50053178
PNG
(CHEMBL333581 | Sodium; (2S,3S,5R)-3-((Z)-2-chloro-...)
Show SMILES C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/p-1/b3-2-/t6-,7+,9+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Pseudomonas aeruginosa 18SH ,class C of Beta-lactamase


J Med Chem 39: 3712-22 (1996)


Article DOI: 10.1021/jm9601967
BindingDB Entry DOI: 10.7270/Q2ZK5H99
More data for this
Ligand-Target Pair