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SMILES: CC(=O)S[C@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=UOVSNFYJYANSNI-SNVBAGLBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50081017   
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
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM50081017
PNG
((R)-2-Acetylsulfanyl-3-phenyl-propionic acid | CHE...)
Show SMILES CC(=O)S[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O3S/c1-8(12)15-10(11(13)14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)/t10-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Pseudomonas aeruginosa IMP1 metallo-beta-lactamase


Citation and Details

Article DOI: 10.1007/s00044-012-0172-1
BindingDB Entry DOI: 10.7270/Q2RB77H5
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50081017
PNG
((R)-2-Acetylsulfanyl-3-phenyl-propionic acid | CHE...)
Show SMILES CC(=O)S[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O3S/c1-8(12)15-10(11(13)14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Merck Research Laboratorie

Curated by ChEMBL


Assay Description
Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase


Bioorg Med Chem Lett 9: 2549-54 (1999)


BindingDB Entry DOI: 10.7270/Q2KW5F8Q
More data for this
Ligand-Target Pair