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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase OXA-10'   
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 OXA-10


(Pseudomonas aeruginosa)
BDBM50293713
PNG
(CHEMBL553476 | Tribenzyl 2-(2-phenoxyacetamido)ami...)
Show SMILES O=C(COc1ccccc1)NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C35H33NO8/c37-31(26-41-30-19-11-4-12-20-30)36-35(34(40)44-25-29-17-9-3-10-18-29,21-32(38)42-23-27-13-5-1-6-14-27)22-33(39)43-24-28-15-7-2-8-16-28/h1-20H,21-26H2,(H,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+4n/an/an/an/an/an/a7.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
Beta-lactamase OXA-10


(Pseudomonas aeruginosa)
BDBM50293712
PNG
(CHEMBL561821 | Tribenzyl 2-aminopropane-1,2,3-tric...)
Show SMILES NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27NO6/c28-27(26(31)34-20-23-14-8-3-9-15-23,16-24(29)32-18-21-10-4-1-5-11-21)17-25(30)33-19-22-12-6-2-7-13-22/h1-15H,16-20,28H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.50E+4n/an/an/an/an/an/a7.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inactivation of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
BindingDB Entry DOI: 10.7270/Q2W9597J
More data for this
Ligand-Target Pair
Beta-lactamase OXA-10


(Pseudomonas aeruginosa)
BDBM50247467
PNG
(CHEMBL4083640)
Show SMILES OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H10Cl2O2S/c15-12-3-1-2-10(13(12)16)8-4-5-11(14(17)18)9(6-8)7-19/h1-6,19H,7H2,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.73E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pseudomonas aeruginosa OXA-10 expressed in Escherichia coli BL21 (DE3) cells using FC5 as substrate preincubated up to 360 ...


J Med Chem 61: 1255-1260 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01728
BindingDB Entry DOI: 10.7270/Q2GQ716Z
More data for this
Ligand-Target Pair