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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50092286'   
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


(Enterobacter cloacae)
BDBM50092286
PNG
(5-[(E)-3-(4-Dimethylamino-phenyl)-prop-2-en-(Z)-yl...)
Show SMILES CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
Show InChI InChI=1S/C14H14N2OS2/c1-16(2)11-8-6-10(7-9-11)4-3-5-12-13(17)15-14(18)19-12/h3-9H,1-2H3,(H,15,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae


Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50092286
PNG
(5-[(E)-3-(4-Dimethylamino-phenyl)-prop-2-en-(Z)-yl...)
Show SMILES CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
Show InChI InChI=1S/C14H14N2OS2/c1-16(2)11-8-6-10(7-9-11)4-3-5-12-13(17)15-14(18)19-12/h3-9H,1-2H3,(H,15,17,18)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair