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BDBM178189 US9120808, Example 8::US9120808, Example 9

SMILES: OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1

InChI Key: InChIKey=PODACQWVDNEGKW-WMYCVDERSA-N

Data: 5 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 5 hits for monomerid = 178189   
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


(Escherichia coli)
BDBM178189
PNG
(US9120808, Example 8 | US9120808, Example 9)
Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.15E+5n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM178189
PNG
(US9120808, Example 8 | US9120808, Example 9)
Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.64E+3n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM178189
PNG
(US9120808, Example 8 | US9120808, Example 9)
Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 828n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178189
PNG
(US9120808, Example 8 | US9120808, Example 9)
Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.04E+3n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM178189
PNG
(US9120808, Example 8 | US9120808, Example 9)
Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.43E+4n/an/an/an/a7.037



NABRIVA THERAPEUTICS AG

US Patent


Assay Description
The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...


US Patent US9120808 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81BT5
More data for this
Ligand-Target Pair