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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase (SHV-1)'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178163
PNG
(US9120808, Example 41 | US9120808, Example 42)
Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/b16-12+/t11?,14-,15?/s2
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178167
PNG
(US9120808, Example 46 | US9120808, Example 47)
Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1/C18H17NO6/c1-10-7-12(17(21)24-10)16-15(19-13(20)8-14(19)25-16)18(22)23-9-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3/b16-12+/t10?,14-,15?/s2
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n/an/a 0.5n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178215
PNG
(US9120808, Example 58)
Show SMILES OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H32N2O8/c37-28-20-29-36(28)30(33(40)42-22-25-14-6-2-7-15-25)31(44-29)27(32(38)39)18-10-11-19-35(21-24-12-4-1-5-13-24)34(41)43-23-26-16-8-3-9-17-26/h1-17,29-30H,18-23H2,(H,38,39)/b11-10+,31-27-/t29-,30?/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178163
PNG
(US9120808, Example 41 | US9120808, Example 42)
Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/b16-12+/t11?,14-,15?/s2
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n/an/a 0.800n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178170
PNG
(US9120808, Example 49)
Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O
Show InChI InChI=1/C11H11NO6/c1-4-2-5(11(16)17-4)9-8(10(14)15)12-6(13)3-7(12)18-9/h4,7-8H,2-3H2,1H3,(H,14,15)/b9-5+/t4?,7-,8?/s2
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n/an/a 2.60n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178171
PNG
(US9120808, Example 50)
Show SMILES CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O
Show InChI InChI=1/C11H11NO6/c1-4-2-5(11(16)17-4)9-8(10(14)15)12-6(13)3-7(12)18-9/h4,7-8H,2-3H2,1H3,(H,14,15)/b9-5+/t4?,7-,8?/s2
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n/an/a 3.20n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178167
PNG
(US9120808, Example 46 | US9120808, Example 47)
Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1/C18H17NO6/c1-10-7-12(17(21)24-10)16-15(19-13(20)8-14(19)25-16)18(22)23-9-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3/b16-12+/t10?,14-,15?/s2
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n/an/a 3.40n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178169
PNG
(US9120808, Example 48)
Show SMILES [N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1/C18H16N4O6/c19-21-20-8-11-6-12(17(24)27-11)16-15(22-13(23)7-14(22)28-16)18(25)26-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/b16-12+/t11?,14-,15?/s2
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n/an/a 4.20n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178165
PNG
(US9120808, Mixture of Example 43 and Example 44)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O
Show InChI InChI=1/C12H12INO6/c1-18-12(17)9-10(20-8-3-7(15)14(8)9)6-2-5(4-13)19-11(6)16/h5,8-9H,2-4H2,1H3/b10-6+/t5?,8-,9?/s2
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n/an/a 4.30n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178198
PNG
(US9120808, Example 18)
Show SMILES CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O
Show InChI InChI=1S/C23H25NO7/c1-23(2,3)22(28)30-14-29-21(27)19-20(31-18-12-17(26)24(18)19)16(13-25)11-7-10-15-8-5-4-6-9-15/h4-10,13,18-19H,11-12,14H2,1-3H3/b10-7+,20-16-/t18-,19?/m1/s1
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US Patent
n/an/a 13.9n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178214
PNG
(US9120808, Example 57)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C19H21NO6/c1-24-18(22)13(10-6-9-12-7-4-3-5-8-12)17-16(19(23)25-2)20-14(21)11-15(20)26-17/h3-5,7-8,15-16H,6,9-11H2,1-2H3/b17-13-/t15-,16?/m1/s1
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n/an/a 22.6n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a 30.3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178201
PNG
(US9120808, Example 26)
Show SMILES OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H21NO6/c26-19-14-20-25(19)21(24(29)30-15-17-10-5-2-6-11-17)22(31-20)18(23(27)28)13-7-12-16-8-3-1-4-9-16/h1-12,20-21H,13-15H2,(H,27,28)/b12-7+,22-18-/t20-,21?/m1/s1
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n/an/a 36.3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM60600
PNG
(US9120808, Example 13)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O
Show InChI InChI=1S/C18H17NO5/c1-23-18(22)16-17(24-15-10-14(21)19(15)16)13(11-20)9-5-8-12-6-3-2-4-7-12/h2-8,11,15-16H,9-10H2,1H3/b8-5+,17-13+/t15-,16?/m1/s1
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n/an/a 47.7n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178203
PNG
(US9120808, Example 34)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H17NO6/c1-24-18(23)15-16(25-14-10-13(20)19(14)15)12(17(21)22)9-5-8-11-6-3-2-4-7-11/h2-8,14-15H,9-10H2,1H3,(H,21,22)/b8-5+,16-12-/t14-,15?/m1/s1
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n/an/a 50.3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178200
PNG
(US9120808, Example 24)
Show SMILES OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H17NO6/c1-2-6-12(17(21)22)16-15(19-13(20)9-14(19)25-16)18(23)24-10-11-7-4-3-5-8-11/h2-5,7-8,14-15H,1,6,9-10H2,(H,21,22)/b16-12-/t14-,15?/m1/s1
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n/an/a 62.2n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178196
PNG
(US9120808, Example 16)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O
Show InChI InChI=1S/C12H13NO5/c1-3-4-7(6-14)11-10(12(16)17-2)13-8(15)5-9(13)18-11/h3,6,9-10H,1,4-5H2,2H3/b11-7-/t9-,10?/m1/s1
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n/an/a 80.5n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178204
PNG
(US9120808, Example 37)
Show SMILES CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H25NO8/c1-23(2,3)22(29)31-13-30-21(28)18-19(32-17-12-16(25)24(17)18)15(20(26)27)11-7-10-14-8-5-4-6-9-14/h4-10,17-18H,11-13H2,1-3H3,(H,26,27)/b10-7+,19-15-/t17-,18?/m1/s1
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n/an/a 141n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178188
PNG
(US9120808, Example 7)
Show SMILES OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-9-5-4-8-14(11-22)18-17(20-15(23)10-16(20)26-18)19(24)25-12-13-6-2-1-3-7-13/h1-7,11,16-17,21H,8-10,12H2/b5-4+,18-14-/t16-,17?/m1/s1
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n/an/a 217n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178210
PNG
(US9120808, Example 53)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H19NO6/c1-24-18(23)15-16(25-14-10-13(20)19(14)15)12(17(21)22)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,14-15H,5,8-10H2,1H3,(H,21,22)/b16-12-/t14-,15?/m1/s1
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n/an/a 219n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
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n/an/a 222n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178211
PNG
(US9120808, Example 54)
Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC
Show InChI InChI=1S/C12H15NO6/c1-3-4-6(11(15)16)10-9(12(17)18-2)13-7(14)5-8(13)19-10/h8-9H,3-5H2,1-2H3,(H,15,16)/b10-6-/t8-,9?/m1/s1
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n/an/a 295n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178202
PNG
(US9120808, Example 32)
Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O
Show InChI InChI=1S/C12H13NO6/c1-3-4-6(11(15)16)10-9(12(17)18-2)13-7(14)5-8(13)19-10/h3,8-9H,1,4-5H2,2H3,(H,15,16)/b10-6-/t8-,9?/m1/s1
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n/an/a 339n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178209
PNG
(US9120808, Example 51)
Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O
Show InChI InChI=1S/C11H13NO6/c1-2-3-5(10(14)15)9-8(11(16)17)12-6(13)4-7(12)18-9/h7-8H,2-4H2,1H3,(H,14,15)(H,16,17)/b9-5-/t7-,8?/m1/s1
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n/an/a 436n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178199
PNG
(US9120808, Example 19)
Show SMILES CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C23H25NO7/c1-22(2,3)20(27)29-15-30-21(28)23(12-7-10-16-8-5-4-6-9-16)17(11-13-25)31-19-14-18(26)24(19)23/h4-11,13,19H,12,14-15H2,1-3H3/b10-7+,17-11-/t19-,23?/m1/s1
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n/an/a 617n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178145
PNG
(US9120808, Example 27 | US9120808, Example 28)
Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14-/t21-,24?/s2
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n/an/a 624n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178153
PNG
(US9120808, Example 35 | US9120808, Example 36)
Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O
Show InChI InChI=1/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10-/t15-,18?/s2
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n/an/a 642n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178189
PNG
(US9120808, Example 8 | US9120808, Example 9)
Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


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



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178153
PNG
(US9120808, Example 35 | US9120808, Example 36)
Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O
Show InChI InChI=1/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10-/t15-,18?/s2
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n/an/a 2.31E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178180
PNG
(US9120808, Example 59)
Show SMILES ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1/C18H18INO5/c19-8-13-6-12(10-23-13)17-16(20-14(21)7-15(20)25-17)18(22)24-9-11-4-2-1-3-5-11/h1-5,13,15-16H,6-10H2/b17-12+/t13?,15-,16?/s2
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n/an/a 3.60E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
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n/an/a 3.92E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178186
PNG
(US9120808, Example 5 | US9120808, Example 6)
Show SMILES O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H21NO5/c26-15-13-20-24(25-21(27)16-22(25)30-20,14-7-12-18-8-3-1-4-9-18)23(28)29-17-19-10-5-2-6-11-19/h1-13,15,22H,14,16-17H2/b12-7+,20-13-/t22-,24?/m1/s1
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n/an/a 3.95E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
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n/an/a 4.43E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178207
PNG
(US9120808, Example 39)
Show SMILES OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H23NO5/c26-15-19(13-7-12-17-8-3-1-4-9-17)23-22(25-20(27)14-21(25)30-23)24(28)29-16-18-10-5-2-6-11-18/h1-12,21-22,26H,13-16H2/b12-7+,23-19-/t21-,22?/m1/s1
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n/an/a 5.61E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


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



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178186
PNG
(US9120808, Example 5 | US9120808, Example 6)
Show SMILES O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H21NO5/c26-15-13-20-24(25-21(27)16-22(25)30-20,14-7-12-18-8-3-1-4-9-18)23(28)29-17-19-10-5-2-6-11-19/h1-13,15,22H,14,16-17H2/b12-7+,20-13-/t22-,24?/m1/s1
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n/an/a 7.14E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178145
PNG
(US9120808, Example 27 | US9120808, Example 28)
Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14-/t21-,24?/s2
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n/an/a 9.32E+3n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178197
PNG
(US9120808, Example 17)
Show SMILES COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C12H13NO5/c1-3-5-12(11(16)17-2)8(4-6-14)18-10-7-9(15)13(10)12/h3-4,6,10H,1,5,7H2,2H3/b8-4+/t10-,12?/m1/s1
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n/an/a 2.13E+4n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair
Beta-lactamase (SHV-1)


(Escherichia coli)
BDBM178194
PNG
(US9120808, Example 14 | US9120808, Example 15)
Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O
Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1
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n/an/a 8.51E+4n/an/an/an/an/an/a



NABRIVA THERAPEUTICS AG

US Patent


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


US Patent US9120808 (2015)

More data for this
Ligand-Target Pair