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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 184.4
BDBM50282565

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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)
BDBM50282565
PNG
(2-(2-Chlorophenyl)ethyl boronic acid | CHEMBL27997...)
Show SMILES OB(O)CCc1ccccc1Cl
Show InChI InChI=1S/C8H10BClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,11-12H,5-6H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.06E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair