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BDBM178194 US9120808, Example 14::US9120808, Example 15

SMILES: COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O

InChI Key: InChIKey=VWSIAIDFEKNQNE-SRNKDFPPSA-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 = 178194   
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)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.37E+5n/an/an/an/an/an/a



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)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.51E+4n/an/an/an/an/an/a



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)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.27E+3n/an/an/an/an/an/a



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)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.60E+4n/an/an/an/an/an/a



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)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.43E+3n/an/an/an/an/an/a



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)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.96E+4n/an/an/an/an/an/a



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