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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 223.2
BDBM50022786

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)
BDBM50022786
PNG
(3-(3-Fluoro-2-oxo-azetidin-1-yl)-4-methyl-benzoic ...)
Show SMILES Cc1ccc(cc1N1CC(F)C1=O)C(O)=O
Show InChI InChI=1S/C11H10FNO3/c1-6-2-3-7(11(15)16)4-9(6)13-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,15,16)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair