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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 = 'BDBM50021955'   
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)
BDBM50021955
PNG
(3-(4-Amino-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2...)
Show SMILES C[C@]1(Cn2cc(N)nn2)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N4O5S/c1-11(4-15-3-7(12)13-14-15)9(10(17)18)8-5(16)2-6(8)21(11,19)20/h3,6,8-9H,2,4,12H2,1H3,(H,17,18)/t6?,8?,9-,11-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/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