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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 = 'BDBM50076683'   
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)
BDBM50076683
PNG
(CHEMBL6533 | Sodium; (2S,3S,5R,6R)-6-hydroxymethyl...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C11H14N4O6S/c1-11(5-14-3-2-12-13-14)7(10(18)19)15-8(17)6(4-16)9(15)22(11,20)21/h2-3,6-7,9,16H,4-5H2,1H3,(H,18,19)/p-1/t6-,7+,9-,11+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase


Bioorg Med Chem Lett 9: 997-1002 (1999)


BindingDB Entry DOI: 10.7270/Q2PK0FBJ
More data for this
Ligand-Target Pair