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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase (TEM-1)' and Ligand = 'BDBM50099196'   
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-1)


(Escherichia coli)
BDBM50099196
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-but...)
Show SMILES CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against TEM-1 enzyme


Bioorg Med Chem Lett 11: 997-1000 (2001)


Article DOI: 10.1016/s0960-894x(01)00148-2
BindingDB Entry DOI: 10.7270/Q2W958G8
More data for this
Ligand-Target Pair