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BDBM98733 US8487093, 76

SMILES: OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CNC2)C1=O

InChI Key: InChIKey=ZYTMUDLKBAIEAQ-SFYZADRCSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 98733   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase (AmpC)


(Pseudomonas aeruginosa)
BDBM98733
PNG
(US8487093, 76)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CNC2)C1=O
Show InChI InChI=1S/C10H16N4O6S/c15-9(12-6-3-11-4-6)8-2-1-7-5-13(8)10(16)14(7)20-21(17,18)19/h6-8,11H,1-5H2,(H,12,15)(H,17,18,19)/t7-,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)


BindingDB Entry DOI: 10.7270/Q2057DKK
More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98733
PNG
(US8487093, 76)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CNC2)C1=O
Show InChI InChI=1S/C10H16N4O6S/c15-9(12-6-3-11-4-6)8-2-1-7-5-13(8)10(16)14(7)20-21(17,18)19/h6-8,11H,1-5H2,(H,12,15)(H,17,18,19)/t7-,8+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)


BindingDB Entry DOI: 10.7270/Q2057DKK
More data for this
Ligand-Target Pair