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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50081057'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-lactamase


(Escherichia coli)		BDBM50081057
PNG
((R)-2-Benzoylsulfanyl-3-phenyl-propionic acid | CH...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)SC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3S/c17-15(18)14(11-12-7-3-1-4-8-12)20-16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
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