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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 = 'BDBM50021965'   
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)
BDBM50021965
PNG
(CHEMBL35418 | Sodium; 3-(5-ethoxycarbonyl-[1,2,3]t...)
Show SMILES CCOC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H17N3O7S/c1-3-24-13(21)7-5-15-16-17(7)6-14(2)11(12(19)20)10-8(18)4-9(10)25(14,22)23/h5,9-11H,3-4,6H2,1-2H3,(H,19,20)/p-1/t9?,10?,11-,14-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate


J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair