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22 similar compounds to monomer 98822

Compile data set for download or QSAR
Wt: 363.3
BDBM98823
Wt: 349.3
BDBM98824
Wt: 335.3
BDBM98825
Wt: 335.3
BDBM98826
Wt: 321.3
BDBM98827
Wt: 367.3
BDBM98828
Wt: 367.3
BDBM98829
Wt: 367.3
BDBM98830
Wt: 367.3
BDBM98831
Wt: 367.3
BDBM98832
Wt: 367.3
BDBM98833
Wt: 353.3
BDBM98834
Wt: 353.3
BDBM98835
Wt: 353.3
BDBM98836
Wt: 353.3
BDBM98837
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 98823,98824,98825,98826,98827,98828,98829,98830,98831,98832,98833,98834,98835,98836,98837   
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 (KPC-2)


(Klebsiella pneumoniae)
BDBM98823
PNG
(US8487093, 220)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCCNCC2)C1=O
Show InChI InChI=1S/C13H21N3O7S/c17-12(22-10-2-1-6-14-7-5-10)11-4-3-9-8-15(11)13(18)16(9)23-24(19,20)21/h9-11,14H,1-8H2,(H,19,20,21)/t9-,10-,11+/m1/s1
PDB
MMDB

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US Patent
n/an/a 6.40E+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


(Acinetobacter baumannii)
BDBM98824
PNG
(US8487093, 222)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O
Show InChI InChI=1S/C12H19N3O7S/c16-11(21-9-3-5-13-6-4-9)10-2-1-8-7-14(10)12(17)15(8)22-23(18,19)20/h8-10,13H,1-7H2,(H,18,19,20)/t8-,10+/m1/s1
PDB
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KEGG

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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin


Bioorg Med Chem Lett 24: 780-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.101
BindingDB Entry DOI: 10.7270/Q2HD7X41
More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98825
PNG
(US8487093, 224)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC2)C1=O
Show InChI InChI=1S/C11H17N3O7S/c15-10(20-8-3-4-12-5-8)9-2-1-7-6-13(9)11(16)14(7)21-22(17,18)19/h7-9,12H,1-6H2,(H,17,18,19)/t7-,8-,9+/m1/s1
PDB
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n/an/a 40n/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)
BDBM98826
PNG
(US8487093, 226)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC2)C1=O
Show InChI InChI=1S/C11H17N3O7S/c15-10(20-8-3-4-12-5-8)9-2-1-7-6-13(9)11(16)14(7)21-22(17,18)19/h7-9,12H,1-6H2,(H,17,18,19)/t7-,8+,9+/m1/s1
PDB
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n/an/a 21n/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)
BDBM98827
PNG
(US8487093, 228)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNC2)C1=O
Show InChI InChI=1S/C10H15N3O7S/c14-9(19-7-3-11-4-7)8-2-1-6-5-12(8)10(15)13(6)20-21(16,17)18/h6-8,11H,1-5H2,(H,16,17,18)/t6-,8+/m1/s1
PDB
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n/an/a 18n/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)
BDBM98828
PNG
(US8487093, 230)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10-/m1/s1
PDB
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n/an/a 26n/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)
BDBM98829
PNG
(US8487093, 232)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10+/m1/s1
PDB
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n/an/a 9n/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)
BDBM98830
PNG
(US8487093, 234)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10-/m1/s1
PDB
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n/an/a 8n/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)
BDBM98831
PNG
(US8487093, 236)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10+/m1/s1
PDB
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US Patent
n/an/a 4n/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)
BDBM98832
PNG
(US8487093, 238)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-3-4-14-5-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10+/m1/s1
PDB
MMDB

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US Patent
n/an/a 15n/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)
BDBM98833
PNG
(US8487093, 240)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-3-4-14-5-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10+/m1/s1
PDB
MMDB

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US Patent
n/an/a 4n/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)
BDBM98834
PNG
(US8487093, 242)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7+,8+,9-/m1/s1
PDB
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n/an/a 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)
BDBM98835
PNG
(US8487093, 244)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7-,8+,9+/m1/s1
PDB
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US Patent
n/an/a 24n/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)
BDBM98836
PNG
(US8487093, 246)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7-,8+,9-/m1/s1
PDB
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US Patent
n/an/a 13n/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)
BDBM98837
PNG
(US8487093, 248)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7+,8+,9+/m1/s1
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US Patent
n/an/a 10n/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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98823
PNG
(US8487093, 220)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCCNCC2)C1=O
Show InChI InChI=1S/C13H21N3O7S/c17-12(22-10-2-1-6-14-7-5-10)11-4-3-9-8-15(11)13(18)16(9)23-24(19,20)21/h9-11,14H,1-8H2,(H,19,20,21)/t9-,10-,11+/m1/s1
PDB
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n/an/a 3.30E+4n/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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98824
PNG
(US8487093, 222)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O
Show InChI InChI=1S/C12H19N3O7S/c16-11(21-9-3-5-13-6-4-9)10-2-1-8-7-14(10)12(17)15(8)22-23(18,19)20/h8-10,13H,1-7H2,(H,18,19,20)/t8-,10+/m1/s1
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n/an/a 170n/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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98825
PNG
(US8487093, 224)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC2)C1=O
Show InChI InChI=1S/C11H17N3O7S/c15-10(20-8-3-4-12-5-8)9-2-1-7-6-13(9)11(16)14(7)21-22(17,18)19/h7-9,12H,1-6H2,(H,17,18,19)/t7-,8-,9+/m1/s1
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n/an/a 3.00E+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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98826
PNG
(US8487093, 226)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC2)C1=O
Show InChI InChI=1S/C11H17N3O7S/c15-10(20-8-3-4-12-5-8)9-2-1-7-6-13(9)11(16)14(7)21-22(17,18)19/h7-9,12H,1-6H2,(H,17,18,19)/t7-,8+,9+/m1/s1
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n/an/a 210n/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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98827
PNG
(US8487093, 228)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNC2)C1=O
Show InChI InChI=1S/C10H15N3O7S/c14-9(19-7-3-11-4-7)8-2-1-6-5-12(8)10(15)13(6)20-21(16,17)18/h6-8,11H,1-5H2,(H,16,17,18)/t6-,8+/m1/s1
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n/an/a 600n/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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98828
PNG
(US8487093, 230)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10-/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98829
PNG
(US8487093, 232)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10+/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98830
PNG
(US8487093, 234)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10-/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98831
PNG
(US8487093, 236)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-5-14-4-3-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10+/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98832
PNG
(US8487093, 238)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-3-4-14-5-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8+,9+,10+/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98833
PNG
(US8487093, 240)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@H]2F)C1=O
Show InChI InChI=1S/C12H18FN3O7S/c13-8-3-4-14-5-10(8)22-11(17)9-2-1-7-6-15(9)12(18)16(7)23-24(19,20)21/h7-10,14H,1-6H2,(H,19,20,21)/t7-,8-,9+,10+/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98834
PNG
(US8487093, 242)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7+,8+,9-/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98835
PNG
(US8487093, 244)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7-,8+,9+/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98836
PNG
(US8487093, 246)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7-,8+,9-/m1/s1
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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 (AmpC)


(Pseudomonas aeruginosa)
BDBM98837
PNG
(US8487093, 248)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@@H]2F)C1=O
Show InChI InChI=1S/C11H16FN3O7S/c12-7-3-13-4-9(7)21-10(16)8-2-1-6-5-14(8)11(17)15(6)22-23(18,19)20/h6-9,13H,1-5H2,(H,18,19,20)/t6-,7+,8+,9+/m1/s1
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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)
BDBM98824
PNG
(US8487093, 222)
Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O
Show InChI InChI=1S/C12H19N3O7S/c16-11(21-9-3-5-13-6-4-9)10-2-1-8-7-14(10)12(17)15(8)22-23(18,19)20/h8-10,13H,1-7H2,(H,18,19,20)/t8-,10+/m1/s1
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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