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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase TEM' and Ligand = 'BDBM50033692'   
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 TEM


(Escherichia coli)
BDBM50033692
PNG
(CHEMBL8371 | Sodium; (R)-3-acetoxymethyl-7-[1-brom...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO5S/c1-5(14)18-3-6-4-19-10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Escherichia coli WC3310


J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair