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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50021956'   
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


(Staphylococcus aureus)
BDBM50021956
PNG
(CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,9-,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate


J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50021956
PNG
(CHEMBL285387 | Sodium; 3-methyl-2,2,6-trioxo-3-[1,...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C11H13N3O5S/c1-11(5-14-3-2-12-13-14)9(10(16)17)8-6(15)4-7(8)20(11,18)19/h2-3,7-9H,4-5H2,1H3,(H,16,17)/p-1/t7?,8?,9-,11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from E. coli OXA1 using ampicillin (40 uM) as a substrate


J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair