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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50347187'   
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)
BDBM50347187
PNG
(CHEMBL1795570)
Show SMILES CO\N=C(\C(=O)NCP(O)(O)=O)c1cccs1
Show InChI InChI=1S/C8H11N2O5PS/c1-15-10-7(6-3-2-4-17-6)8(11)9-5-16(12,13)14/h2-4H,5H2,1H3,(H,9,11)(H2,12,13,14)/b10-7+
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta lactamase P99


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
BindingDB Entry DOI: 10.7270/Q24Q7V94
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50347187
PNG
(CHEMBL1795570)
Show SMILES CO\N=C(\C(=O)NCP(O)(O)=O)c1cccs1
Show InChI InChI=1S/C8H11N2O5PS/c1-15-10-7(6-3-2-4-17-6)8(11)9-5-16(12,13)14/h2-4H,5H2,1H3,(H,9,11)(H2,12,13,14)/b10-7+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
BindingDB Entry DOI: 10.7270/Q24Q7V94
More data for this
Ligand-Target Pair