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BDBM50081065 (R)-2-Acetylsulfanyl-3-dibenzofuran-2-yl-propionic acid::CHEMBL315490

SMILES: CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O

InChI Key: InChIKey=VBCZYDDFKUBHIO-MRXNPFEDSA-N

Data: 1 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 1 hit for monomerid = 50081065   
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 AmpC


(Escherichia coli)
BDBM50081065
PNG
((R)-2-Acetylsulfanyl-3-dibenzofuran-2-yl-propionic...)
Show SMILES CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
Show InChI InChI=1S/C17H14O4S/c1-10(18)22-16(17(19)20)9-11-6-7-15-13(8-11)12-4-2-3-5-14(12)21-15/h2-8,16H,9H2,1H3,(H,19,20)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>5.00E+5n/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