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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 = 'BDBM50518882'   
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)
BDBM50518882
PNG
(CHEMBL4471138)
Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS |r|
Show InChI InChI=1S/C12H14BNO4S/c15-12(7-19)14-11(13(16)17)5-8-6-18-10-4-2-1-3-9(8)10/h1-4,6,11,16-17,19H,5,7H2,(H,14,15)/t11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.84E+3n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...


J Med Chem 62: 7160-7184 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00735
BindingDB Entry DOI: 10.7270/Q22R3W2M
More data for this
Ligand-Target Pair