BindingDB logo
myBDB logout

BDBM50081025 (R)-2-Benzoylsulfanyl-3-dibenzofuran-2-yl-propionic acid::CHEMBL419293

SMILES: OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1

InChI Key: InChIKey=KKKSWXOXMOHROK-HXUWFJFHSA-N

Data: 2 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 2 hits for monomerid = 50081025   
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)		BDBM50081025
PNG
((R)-2-Benzoylsulfanyl-3-dibenzofuran-2-yl-propioni...)
Show SMILES OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1
Show InChI InChI=1S/C22H16O4S/c23-21(24)20(27-22(25)15-6-2-1-3-7-15)13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)26-19/h1-12,20H,13H2,(H,23,24)/t20-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 1.30n/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 AmpC


(Escherichia coli)		BDBM50081025
PNG
((R)-2-Benzoylsulfanyl-3-dibenzofuran-2-yl-propioni...)
Show SMILES OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1
Show InChI InChI=1S/C22H16O4S/c23-21(24)20(27-22(25)15-6-2-1-3-7-15)13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)26-19/h1-12,20H,13H2,(H,23,24)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
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