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Patent code US10800778

Compile Data Set for Download or QSAR
Found 120 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM467000
PNG
(2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5(7(13)16)14-3-6(4)15(9(14)19)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5-,6?/m0/s1
PDB

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UniChem
US Patent
n/an/a 0.470n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM467003
PNG
(US10800778, Comparator 98)
Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O
Show InChI InChI=1S/C9H12FN3O5/c10-6(8(15)16)18-13-4-1-2-5(7(11)14)12(3-4)9(13)17/h4-6H,1-3H2,(H2,11,14)(H,15,16)/t4?,5-,6-/m0/s1
PDB

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UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM467002
PNG
((2R)-2-(((2S,5R)-2-cyano-4-methyl-7-oxo-1,6-diazab...)
Show SMILES CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C10H10FN3O4/c1-5-2-6(3-12)13-4-7(5)14(10(13)17)18-8(11)9(15)16/h2,6-8H,4H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1
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UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466965
PNG
((2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7-/m0/s1
PDB

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UniChem
US Patent
n/an/a 1.35n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466967
PNG
(US10800778, Example 8 | {[(2S,5R)-2-carbamoyl-3-me...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O
Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5-3-14(6(4)7(13)16)9(19)15(5)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5?,6-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466971
PNG
(2-fluoro-2-(((2S,5R)-3-methyl-7-oxo-2-((pyrazin-2-...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12?/m0/s1
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US Patent
n/an/a 1.80n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466985
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466999
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(sulfa...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C11H16FN5O7S/c1-5-2-6-3-16(11(21)17(6)24-8(12)10(19)20)7(5)9(18)14-4-15-25(13,22)23/h2,6-8,15H,3-4H2,1H3,(H,14,18)(H,19,20)(H2,13,22,23)/t6?,7-,8+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466998
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(acetamidomethylcarbam...)
Show SMILES CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C13H17FN4O6/c1-6-3-8-4-17(9(6)11(20)16-5-15-7(2)19)13(23)18(8)24-10(14)12(21)22/h3,8-10H,4-5H2,1-2H3,(H,15,19)(H,16,20)(H,21,22)/t8?,9-,10+/m0/s1
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US Patent
n/an/a 3.10n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466972
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7-/m0/s1
PDB

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UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466974
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...)
Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466979
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H17FN4O7S/c1-6-4-7-5-16(12(21)17(7)24-9(13)11(19)20)8(6)10(18)15-2-3-25(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1
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US Patent
n/an/a 4.10n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466987
PNG
((2S)-2-[[(2S,5R)-2-[(3-amino-3-oxo-propyl)carbamoy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H17FN4O6/c1-6-4-7-5-17(9(6)11(20)16-3-2-8(15)19)13(23)18(7)24-10(14)12(21)22/h4,7,9-10H,2-3,5H2,1H3,(H2,15,19)(H,16,20)(H,21,22)/t7?,9-,10+/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466966
PNG
(US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7?/m0/s1
PDB

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n/an/a 4.40n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466975
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...)
Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9+/m0/s1
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UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466974
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...)
Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9-/m0/s1
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UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466977
PNG
(2-[[(2S,5R)-2-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-3...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C12H12FN5O6/c1-4-2-5-3-17(12(22)18(5)24-7(13)11(20)21)6(4)9-15-16-10(23-9)8(14)19/h2,5-7H,3H2,1H3,(H2,14,19)(H,20,21)/t5?,6-,7?/m0/s1
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UniChem
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n/an/a 7.30n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466983
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466970
PNG
(2-(((2S,5R)-2-(2-acetylhydrazinecarbonyl)-3-methyl...)
Show SMILES CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O
Show InChI InChI=1S/C12H15FN4O6/c1-5-3-7-4-16(8(5)10(19)15-14-6(2)18)12(22)17(7)23-9(13)11(20)21/h3,7-9H,4H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7?,8-,9?/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466984
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxazol-2-ylm...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C14H15FN4O6/c1-7-4-8-6-18(14(23)19(8)25-11(15)13(21)22)10(7)12(20)17-5-9-16-2-3-24-9/h2-4,8,10-11H,5-6H2,1H3,(H,17,20)(H,21,22)/t8?,10-,11+/m0/s1
PDB
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UniChem
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n/an/a 9.30n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466989
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(5-o...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C16H21FN4O6/c1-8-6-10-7-20(16(26)21(10)27-13(17)15(24)25)12(8)14(23)18-5-4-9-2-3-11(22)19-9/h6,9-10,12-13H,2-5,7H2,1H3,(H,18,23)(H,19,22)(H,24,25)/t9-,10?,12-,13+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466997
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(hydroxymethylcarbamoy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C11H14FN3O6/c1-5-2-6-3-14(7(5)9(17)13-4-16)11(20)15(6)21-8(12)10(18)19/h2,6-8,16H,3-4H2,1H3,(H,13,17)(H,18,19)/t6?,7-,8+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466965
PNG
((2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466982
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxetan-3-ylc...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H16FN3O6/c1-6-2-8-3-16(9(6)11(18)15-7-4-22-5-7)13(21)17(8)23-10(14)12(19)20/h2,7-10H,3-5H2,1H3,(H,15,18)(H,19,20)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466967
PNG
(US10800778, Example 8 | {[(2S,5R)-2-carbamoyl-3-me...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O
Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5-3-14(6(4)7(13)16)9(19)15(5)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5?,6-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466996
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(cyanomethylcarbamoyl)...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H13FN4O5/c1-6-4-7-5-16(8(6)10(18)15-3-2-14)12(21)17(7)22-9(13)11(19)20/h4,7-9H,3,5H2,1H3,(H,15,18)(H,19,20)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466967
PNG
(US10800778, Example 8 | {[(2S,5R)-2-carbamoyl-3-me...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O
Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5-3-14(6(4)7(13)16)9(19)15(5)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5?,6-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466991
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(sul...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H18FN5O7S/c1-6-4-7-5-17(12(22)18(7)25-9(13)11(20)21)8(6)10(19)15-2-3-16-26(14,23)24/h4,7-9,16H,2-3,5H2,1H3,(H,15,19)(H,20,21)(H2,14,23,24)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466964
PNG
((2S)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466965
PNG
((2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466997
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(hydroxymethylcarbamoy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C11H14FN3O6/c1-5-2-6-3-14(7(5)9(17)13-4-16)11(20)15(6)21-8(12)10(18)19/h2,6-8,16H,3-4H2,1H3,(H,13,17)(H,18,19)/t6?,7-,8+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466966
PNG
(US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466970
PNG
(2-(((2S,5R)-2-(2-acetylhydrazinecarbonyl)-3-methyl...)
Show SMILES CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O
Show InChI InChI=1S/C12H15FN4O6/c1-5-3-7-4-16(8(5)10(19)15-14-6(2)18)12(22)17(7)23-9(13)11(20)21/h3,7-9H,4H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7?,8-,9?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM467000
PNG
(2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5(7(13)16)14-3-6(4)15(9(14)19)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5-,6?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466973
PNG
((2S)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466964
PNG
((2S)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466966
PNG
(US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466990
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(3-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)16-3-2-4-26(15,23)24/h5,8-10H,2-4,6H2,1H3,(H,16,19)(H,20,21)(H2,15,23,24)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466974
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...)
Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466975
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...)
Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466977
PNG
(2-[[(2S,5R)-2-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-3...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C12H12FN5O6/c1-4-2-5-3-17(12(22)18(5)24-7(13)11(20)21)6(4)9-15-16-10(23-9)8(14)19/h2,5-7H,3H2,1H3,(H2,14,19)(H,20,21)/t5?,6-,7?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466973
PNG
((2S)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466986
PNG
((2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C14H18FN3O6/c1-7-4-9-5-17(14(22)18(9)24-11(15)13(20)21)10(7)12(19)16-23-6-8-2-3-8/h4,8-11H,2-3,5-6H2,1H3,(H,16,19)(H,20,21)/t9?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466996
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(cyanomethylcarbamoyl)...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H13FN4O5/c1-6-4-7-5-16(8(6)10(18)15-3-2-14)12(21)17(7)22-9(13)11(19)20/h4,7-9H,3,5H2,1H3,(H,15,18)(H,19,20)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM467004
PNG
(US10800778, Comparator 99)
Show SMILES OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O
Show InChI InChI=1S/C14H21FN4O5/c15-11(13(21)22)24-19-9-1-2-10(18(7-9)14(19)23)12(20)17-8-3-5-16-6-4-8/h8-11,16H,1-7H2,(H,17,20)(H,21,22)/t9?,10-,11?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466999
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(sulfa...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C11H16FN5O7S/c1-5-2-6-3-16(11(21)17(6)24-8(12)10(19)20)7(5)9(18)14-4-15-25(13,22)23/h2,6-8,15H,3-4H2,1H3,(H,14,18)(H,19,20)(H2,13,22,23)/t6?,7-,8+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM467002
PNG
((2R)-2-(((2S,5R)-2-cyano-4-methyl-7-oxo-1,6-diazab...)
Show SMILES CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C10H10FN3O4/c1-5-2-6(3-12)13-4-7(5)14(10(13)17)18-8(11)9(15)16/h2,6-8H,4H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM467000
PNG
(2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5(7(13)16)14-3-6(4)15(9(14)19)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5-,6?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466981
PNG
((2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H19F3N4O6/c1-7-2-9-4-21(14(26)22(9)28-11(16)13(24)25)10(7)12(23)20-27-5-8-3-15(17,18)6-19-8/h2,8-11,19H,3-6H2,1H3,(H,20,23)(H,24,25)/t8-,9?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466998
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(acetamidomethylcarbam...)
Show SMILES CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C13H17FN4O6/c1-6-3-8-4-17(9(6)11(20)16-5-15-7(2)19)13(23)18(8)24-10(14)12(21)22/h3,8-10H,4-5H2,1-2H3,(H,15,19)(H,16,20)(H,21,22)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466970
PNG
(2-(((2S,5R)-2-(2-acetylhydrazinecarbonyl)-3-methyl...)
Show SMILES CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O
Show InChI InChI=1S/C12H15FN4O6/c1-5-3-7-4-16(8(5)10(19)15-14-6(2)18)12(22)17(7)23-9(13)11(20)21/h3,7-9H,4H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7?,8-,9?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466968
PNG
(US10800778, Example 10 | {[(2S,5R)-2-carbamoyl-3-m...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O
Show InChI InChI=1S/C10H13N3O5/c1-5-2-6-3-12(8(5)9(11)16)10(17)13(6)18-4-7(14)15/h2,6,8H,3-4H2,1H3,(H2,11,16)(H,14,15)/t6?,8-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM467001
PNG
(2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H13N3O5/c1-5-2-6(9(11)16)12-3-7(5)13(10(12)17)18-4-8(14)15/h2,6-7H,3-4H2,1H3,(H2,11,16)(H,14,15)/t6-,7?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466988
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(5-oxo...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H19FN4O7/c1-7-4-9-5-19(15(25)20(9)27-12(16)14(23)24)11(7)13(22)18-26-6-8-2-3-10(21)17-8/h4,8-9,11-12H,2-3,5-6H2,1H3,(H,17,21)(H,18,22)(H,23,24)/t8-,9?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466982
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxetan-3-ylc...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H16FN3O6/c1-6-2-8-3-16(9(6)11(18)15-7-4-22-5-7)13(21)17(8)23-10(14)12(19)20/h2,7-10H,3-5H2,1H3,(H,15,18)(H,19,20)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466998
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(acetamidomethylcarbam...)
Show SMILES CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C13H17FN4O6/c1-6-3-8-4-17(9(6)11(20)16-5-15-7(2)19)13(23)18(8)24-10(14)12(21)22/h3,8-10H,4-5H2,1-2H3,(H,15,19)(H,16,20)(H,21,22)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466979
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H17FN4O7S/c1-6-4-7-5-16(12(21)17(7)24-9(13)11(19)20)8(6)10(18)15-2-3-25(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466983
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466964
PNG
((2S)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466987
PNG
((2S)-2-[[(2S,5R)-2-[(3-amino-3-oxo-propyl)carbamoy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H17FN4O6/c1-6-4-7-5-17(9(6)11(20)16-3-2-8(15)19)13(23)18(7)24-10(14)12(21)22/h4,7,9-10H,2-3,5H2,1H3,(H2,15,19)(H,16,20)(H,21,22)/t7?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466988
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(5-oxo...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H19FN4O7/c1-7-4-9-5-19(15(25)20(9)27-12(16)14(23)24)11(7)13(22)18-26-6-8-2-3-10(21)17-8/h4,8-9,11-12H,2-3,5-6H2,1H3,(H,17,21)(H,18,22)(H,23,24)/t8-,9?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466972
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466984
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxazol-2-ylm...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C14H15FN4O6/c1-7-4-8-6-18(14(23)19(8)25-11(15)13(21)22)10(7)12(20)17-5-9-16-2-3-24-9/h2-4,8,10-11H,5-6H2,1H3,(H,17,20)(H,21,22)/t8?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466971
PNG
(2-fluoro-2-(((2S,5R)-3-methyl-7-oxo-2-((pyrazin-2-...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466991
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(sul...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H18FN5O7S/c1-6-4-7-5-17(12(22)18(7)25-9(13)11(20)21)8(6)10(19)15-2-3-16-26(14,23)24/h4,7-9,16H,2-3,5H2,1H3,(H,15,19)(H,20,21)(H2,14,23,24)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466996
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(cyanomethylcarbamoyl)...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H13FN4O5/c1-6-4-7-5-16(8(6)10(18)15-3-2-14)12(21)17(7)22-9(13)11(19)20/h4,7-9H,3,5H2,1H3,(H,15,18)(H,19,20)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466986
PNG
((2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C14H18FN3O6/c1-7-4-9-5-17(14(22)18(9)24-11(15)13(20)21)10(7)12(19)16-23-6-8-2-3-8/h4,8-11H,2-3,5-6H2,1H3,(H,16,19)(H,20,21)/t9?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466978
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H17FN4O8S/c1-6-4-7-5-16(12(21)17(7)25-9(13)11(19)20)8(6)10(18)15-24-2-3-26(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466975
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...)
Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466981
PNG
((2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H19F3N4O6/c1-7-2-9-4-21(14(26)22(9)28-11(16)13(24)25)10(7)12(23)20-27-5-8-3-15(17,18)6-19-8/h2,8-11,19H,3-6H2,1H3,(H,20,23)(H,24,25)/t8-,9?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466985
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466987
PNG
((2S)-2-[[(2S,5R)-2-[(3-amino-3-oxo-propyl)carbamoy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H17FN4O6/c1-6-4-7-5-17(9(6)11(20)16-3-2-8(15)19)13(23)18(7)24-10(14)12(21)22/h4,7,9-10H,2-3,5H2,1H3,(H2,15,19)(H,16,20)(H,21,22)/t7?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466988
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(5-oxo...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H19FN4O7/c1-7-4-9-5-19(15(25)20(9)27-12(16)14(23)24)11(7)13(22)18-26-6-8-2-3-10(21)17-8/h4,8-9,11-12H,2-3,5-6H2,1H3,(H,17,21)(H,18,22)(H,23,24)/t8-,9?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466986
PNG
((2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C14H18FN3O6/c1-7-4-9-5-17(14(22)18(9)24-11(15)13(20)21)10(7)12(19)16-23-6-8-2-3-8/h4,8-11H,2-3,5-6H2,1H3,(H,16,19)(H,20,21)/t9?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466978
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H17FN4O8S/c1-6-4-7-5-16(12(21)17(7)25-9(13)11(19)20)8(6)10(18)15-24-2-3-26(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466971
PNG
(2-fluoro-2-(((2S,5R)-3-methyl-7-oxo-2-((pyrazin-2-...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466997
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-(hydroxymethylcarbamoy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C11H14FN3O6/c1-5-2-6-3-14(7(5)9(17)13-4-16)11(20)15(6)21-8(12)10(18)19/h2,6-8,16H,3-4H2,1H3,(H,13,17)(H,18,19)/t6?,7-,8+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM467001
PNG
(2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H13N3O5/c1-5-2-6(9(11)16)12-3-7(5)13(10(12)17)18-4-8(14)15/h2,6-7H,3-4H2,1H3,(H2,11,16)(H,14,15)/t6-,7?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466999
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(sulfa...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C11H16FN5O7S/c1-5-2-6-3-16(11(21)17(6)24-8(12)10(19)20)7(5)9(18)14-4-15-25(13,22)23/h2,6-8,15H,3-4H2,1H3,(H,14,18)(H,19,20)(H2,13,22,23)/t6?,7-,8+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466972
PNG
((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466985
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466977
PNG
(2-[[(2S,5R)-2-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-3...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O
Show InChI InChI=1S/C12H12FN5O6/c1-4-2-5-3-17(12(22)18(5)24-7(13)11(20)21)6(4)9-15-16-10(23-9)8(14)19/h2,5-7H,3H2,1H3,(H2,14,19)(H,20,21)/t5?,6-,7?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466980
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2S)-...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H21FN4O6/c1-8-5-10-6-19(15(24)20(10)26-12(16)14(22)23)11(8)13(21)18-25-7-9-3-2-4-17-9/h5,9-12,17H,2-4,6-7H2,1H3,(H,18,21)(H,22,23)/t9-,10?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466992
PNG
((2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H22FN3O6/c1-8-5-9-7-18(14(23)19(9)25-11(16)12(20)21)10(8)6-17-13(22)24-15(2,3)4/h5,9-11H,6-7H2,1-4H3,(H,17,22)(H,20,21)/t9?,10-,11-/m1/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466978
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H17FN4O8S/c1-6-4-7-5-16(12(21)17(7)25-9(13)11(19)20)8(6)10(18)15-24-2-3-26(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466981
PNG
((2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H19F3N4O6/c1-7-2-9-4-21(14(26)22(9)28-11(16)13(24)25)10(7)12(23)20-27-5-8-3-15(17,18)6-19-8/h2,8-11,19H,3-6H2,1H3,(H,20,23)(H,24,25)/t8-,9?,10-,11+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466969
PNG
(2-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O
Show InChI InChI=1S/C11H14FN3O5/c1-5-3-6-4-14(7(5)8(13)16)10(19)15(6)20-11(2,12)9(17)18/h3,6-7H,4H2,1-2H3,(H2,13,16)(H,17,18)/t6?,7-,11?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466990
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(3-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)16-3-2-4-26(15,23)24/h5,8-10H,2-4,6H2,1H3,(H,16,19)(H,20,21)(H2,15,23,24)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466973
PNG
((2S)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466984
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxazol-2-ylm...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C14H15FN4O6/c1-7-4-8-6-18(14(23)19(8)25-11(15)13(21)22)10(7)12(20)17-5-9-16-2-3-24-9/h2-4,8,10-11H,5-6H2,1H3,(H,17,20)(H,21,22)/t8?,10-,11+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466983
PNG
((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466969
PNG
(2-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O
Show InChI InChI=1S/C11H14FN3O5/c1-5-3-6-4-14(7(5)8(13)16)10(19)15(6)20-11(2,12)9(17)18/h3,6-7H,4H2,1-2H3,(H2,13,16)(H,17,18)/t6?,7-,11?/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466980
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2S)-...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H21FN4O6/c1-8-5-10-6-19(15(24)20(10)26-12(16)14(22)23)11(8)13(21)18-25-7-9-3-2-4-17-9/h5,9-12,17H,2-4,6-7H2,1H3,(H,18,21)(H,22,23)/t9-,10?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466979
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H17FN4O7S/c1-6-4-7-5-16(12(21)17(7)24-9(13)11(19)20)8(6)10(18)15-2-3-25(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466991
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(sul...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H18FN5O7S/c1-6-4-7-5-17(12(22)18(7)25-9(13)11(20)21)8(6)10(19)15-2-3-16-26(14,23)24/h4,7-9,16H,2-3,5H2,1H3,(H,15,19)(H,20,21)(H2,14,23,24)/t7?,8-,9+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466968
PNG
(US10800778, Example 10 | {[(2S,5R)-2-carbamoyl-3-m...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O
Show InChI InChI=1S/C10H13N3O5/c1-5-2-6-3-12(8(5)9(11)16)10(17)13(6)18-4-7(14)15/h2,6,8H,3-4H2,1H3,(H2,11,16)(H,14,15)/t6?,8-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466989
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(5-o...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C16H21FN4O6/c1-8-6-10-7-20(16(26)21(10)27-13(17)15(24)25)12(8)14(23)18-5-4-9-2-3-11(22)19-9/h6,9-10,12-13H,2-5,7H2,1H3,(H,18,23)(H,19,22)(H,24,25)/t9-,10?,12-,13+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM467002
PNG
((2R)-2-(((2S,5R)-2-cyano-4-methyl-7-oxo-1,6-diazab...)
Show SMILES CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C10H10FN3O4/c1-5-2-6(3-12)13-4-7(5)14(10(13)17)18-8(11)9(15)16/h2,6-8H,4H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466990
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(3-sulf...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)16-3-2-4-26(15,23)24/h5,8-10H,2-4,6H2,1H3,(H,16,19)(H,20,21)(H2,15,23,24)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466982
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxetan-3-ylc...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C13H16FN3O6/c1-6-2-8-3-16(9(6)11(18)15-7-4-22-5-7)13(21)17(8)23-10(14)12(19)20/h2,7-10H,3-5H2,1H3,(H,15,18)(H,19,20)/t8?,9-,10+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466994
PNG
((2S)-2-[[(2S,5R)-2- (acetamidomethyl)-3-methyl-7- ...)
Show SMILES CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H16FN3O5/c1-6-3-8-5-15(9(6)4-14-7(2)17)12(20)16(8)21-10(13)11(18)19/h3,8-10H,4-5H2,1-2H3,(H,14,17)(H,18,19)/t8?,9-,10-/m1/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466989
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(5-o...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C16H21FN4O6/c1-8-6-10-7-20(16(26)21(10)27-13(17)15(24)25)12(8)14(23)18-5-4-9-2-3-11(22)19-9/h6,9-10,12-13H,2-5,7H2,1H3,(H,18,23)(H,19,22)(H,24,25)/t9-,10?,12-,13+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466980
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2S)-...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H21FN4O6/c1-8-5-10-6-19(15(24)20(10)26-12(16)14(22)23)11(8)13(21)18-25-7-9-3-2-4-17-9/h5,9-12,17H,2-4,6-7H2,1H3,(H,18,21)(H,22,23)/t9-,10?,11-,12+/m0/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466992
PNG
((2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H22FN3O6/c1-8-5-9-7-18(14(23)19(9)25-11(16)12(20)21)10(8)6-17-13(22)24-15(2,3)4/h5,9-11H,6-7H2,1-4H3,(H,17,22)(H,20,21)/t9?,10-,11-/m1/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466968
PNG
(US10800778, Example 10 | {[(2S,5R)-2-carbamoyl-3-m...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O
Show InChI InChI=1S/C10H13N3O5/c1-5-2-6-3-12(8(5)9(11)16)10(17)13(6)18-4-7(14)15/h2,6,8H,3-4H2,1H3,(H2,11,16)(H,14,15)/t6?,8-/m0/s1
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US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM467004
PNG
(US10800778, Comparator 99)
Show SMILES OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O
Show InChI InChI=1S/C14H21FN4O5/c15-11(13(21)22)24-19-9-1-2-10(18(7-9)14(19)23)12(20)17-8-3-5-16-6-4-8/h8-11,16H,1-7H2,(H,17,20)(H,21,22)/t9?,10-,11?/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM467003
PNG
(US10800778, Comparator 98)
Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O
Show InChI InChI=1S/C9H12FN3O5/c10-6(8(15)16)18-13-4-1-2-5(7(11)14)12(3-4)9(13)17/h4-6H,1-3H2,(H2,11,14)(H,15,16)/t4?,5-,6-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM467003
PNG
(US10800778, Comparator 98)
Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O
Show InChI InChI=1S/C9H12FN3O5/c10-6(8(15)16)18-13-4-1-2-5(7(11)14)12(3-4)9(13)17/h4-6H,1-3H2,(H2,11,14)(H,15,16)/t4?,5-,6-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466994
PNG
((2S)-2-[[(2S,5R)-2- (acetamidomethyl)-3-methyl-7- ...)
Show SMILES CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H16FN3O5/c1-6-3-8-5-15(9(6)4-14-7(2)17)12(20)16(8)21-10(13)11(18)19/h3,8-10H,4-5H2,1-2H3,(H,14,17)(H,18,19)/t8?,9-,10-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466995
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2,2,...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H13F4N3O5/c1-5-2-6-4-18(7(5)3-17-10(22)12(14,15)16)11(23)19(6)24-8(13)9(20)21/h2,6-8H,3-4H2,1H3,(H,17,22)(H,20,21)/t6?,7-,8-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM467001
PNG
(2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O
Show InChI InChI=1S/C10H13N3O5/c1-5-2-6(9(11)16)12-3-7(5)13(10(12)17)18-4-8(14)15/h2,6-7H,3-4H2,1H3,(H2,11,16)(H,14,15)/t6-,7?/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466995
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2,2,...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H13F4N3O5/c1-5-2-6-4-18(7(5)3-17-10(22)12(14,15)16)11(23)19(6)24-8(13)9(20)21/h2,6-8H,3-4H2,1H3,(H,17,22)(H,20,21)/t6?,7-,8-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466969
PNG
(2-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabi...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O
Show InChI InChI=1S/C11H14FN3O5/c1-5-3-6-4-14(7(5)8(13)16)10(19)15(6)20-11(2,12)9(17)18/h3,6-7H,4H2,1-2H3,(H2,13,16)(H,17,18)/t6?,7-,11?/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466992
PNG
((2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methy...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C15H22FN3O6/c1-8-5-9-7-18(14(23)19(9)25-11(16)12(20)21)10(8)6-17-13(22)24-15(2,3)4/h5,9-11H,6-7H2,1-4H3,(H,17,22)(H,20,21)/t9?,10-,11-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM467004
PNG
(US10800778, Comparator 99)
Show SMILES OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O
Show InChI InChI=1S/C14H21FN4O5/c15-11(13(21)22)24-19-9-1-2-10(18(7-9)14(19)23)12(20)17-8-3-5-16-6-4-8/h8-11,16H,1-7H2,(H,17,20)(H,21,22)/t9?,10-,11?/m0/s1
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n/an/a 8.20E+4n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466994
PNG
((2S)-2-[[(2S,5R)-2- (acetamidomethyl)-3-methyl-7- ...)
Show SMILES CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O
Show InChI InChI=1S/C12H16FN3O5/c1-6-3-8-5-15(9(6)4-14-7(2)17)12(20)16(8)21-10(13)11(18)19/h3,8-10H,4-5H2,1-2H3,(H,14,17)(H,18,19)/t8?,9-,10-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466995
PNG
((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[[(2,2,...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C12H13F4N3O5/c1-5-2-6-4-18(7(5)3-17-10(22)12(14,15)16)11(23)19(6)24-8(13)9(20)21/h2,6-8H,3-4H2,1H3,(H,17,22)(H,20,21)/t6?,7-,8-/m1/s1
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Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM466993
PNG
((2S)-2-[[(2S,5R)-2-(aminomethyl)-3-methyl-7-oxo-1,...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CN)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C10H14FN3O4/c1-5-2-6-4-13(7(5)3-12)10(17)14(6)18-8(11)9(15)16/h2,6-8H,3-4,12H2,1H3,(H,15,16)/t6?,7-,8-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Bacterial beta-lactamase TEM


(Escherichia coli)
BDBM466993
PNG
((2S)-2-[[(2S,5R)-2-(aminomethyl)-3-methyl-7-oxo-1,...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CN)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C10H14FN3O4/c1-5-2-6-4-13(7(5)3-12)10(17)14(6)18-8(11)9(15)16/h2,6-8H,3-4,12H2,1H3,(H,15,16)/t6?,7-,8-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM466993
PNG
((2S)-2-[[(2S,5R)-2-(aminomethyl)-3-methyl-7-oxo-1,...)
Show SMILES CC1=C[C@@H]2CN([C@@H]1CN)C(=O)N2O[C@@H](F)C(O)=O
Show InChI InChI=1S/C10H14FN3O4/c1-5-2-6-4-13(7(5)3-12)10(17)14(6)18-8(11)9(15)16/h2,6-8H,3-4,12H2,1H3,(H,15,16)/t6?,7-,8-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Entasis Therapeutics Limited

US Patent


Assay Description
A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...


US Patent US10800778 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%