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BDBM178205 US9120808, Example 38::US9120808, Example 38a

SMILES: OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1

InChI Key: InChIKey=ZUIFBYULLQUXTF-VLCNFMPYSA-N

Data: 6 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 6 hits for monomerid = 178205   
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)
BDBM178205
PNG
(US9120808, Example 38 | US9120808, Example 38a)
Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.72E+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 (SHV-1)


(Escherichia coli)
BDBM178205
PNG
(US9120808, Example 38 | US9120808, Example 38a)
Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.81E+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)
BDBM178205
PNG
(US9120808, Example 38 | US9120808, Example 38a)
Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.95E+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)
BDBM178205
PNG
(US9120808, Example 38 | US9120808, Example 38a)
Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.22E+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
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178205
PNG
(US9120808, Example 38 | US9120808, Example 38a)
Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.71E+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)
BDBM178205
PNG
(US9120808, Example 38 | US9120808, Example 38a)
Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.02E+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