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Found 477 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase AmpC' AND taxid = 83333   
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 AmpC


(Escherichia coli)
BDBM39816
PNG
(Acylglycineboronic acid, 15)
Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O
Show InChI InChI=1S/C10H14BN3O6S2/c1-10(2,8(16)17)20-14-6(5-3-22-9(21)13-5)7(15)12-4-11(18)19/h3,18-19H,4H2,1-2H3,(H,12,15)(H,13,21)(H,16,17)/p-1/b14-6+
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20n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM50115618
PNG
(2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-...)
Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O
Show InChI InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/p-1/b15-6+
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20n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


J Med Chem 45: 3222-34 (2002)

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


(Escherichia coli)
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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27n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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27n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


J Med Chem 45: 3222-34 (2002)

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


(Escherichia coli)
BDBM39812
PNG
(Acylglycineboronic acid, 10)
Show SMILES CCOc1ccc2ccccc2c1C(=O)NCB(O)O
Show InChI InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)
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33n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM39849
PNG
(Amide and sulfonamide derivatives, 33)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H
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60n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39815
PNG
(Acylglycineboronic acid, 14)
Show SMILES CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1
Show InChI InChI=1S/C14H22BN3O6S2/c1-13(2,3)23-11(20)14(4,5)24-18-9(8-6-26-12(25)17-8)10(19)16-7-15(21)22/h6,21-22H,7H2,1-5H3,(H,16,19)(H,17,25)/b18-9+
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70n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM39856
PNG
(Amide and sulfonamide derivatives, 41)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24)
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80n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50115616
PNG
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
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80n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


J Med Chem 45: 3222-34 (2002)

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


(Escherichia coli)
BDBM50115616
PNG
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
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80n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM50115616
PNG
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
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80n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39819
PNG
(Amide and sulfonamide derivatives, 3)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C11H13BN2O5S/c1-7-11(8(2)19-13-7)20(17,18)14-10-5-3-4-9(6-10)12(15)16/h3-6,14-16H,1-2H3
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100n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39820
PNG
(Amide and sulfonamide derivatives, 4)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(11-12)18-27(23,24)16-10-9-15(25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
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120n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50115620
PNG
(3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...)
Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl
Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)
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150n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM50115620
PNG
(3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...)
Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl
Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)
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150n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


J Med Chem 45: 3222-34 (2002)

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


(Escherichia coli)
BDBM39814
PNG
(Acylglycineboronic acid, 13)
Show SMILES OB(O)CNC(=O)CSc1ccncc1
Show InChI InChI=1S/C8H11BN2O3S/c12-8(11-6-9(13)14)5-15-7-1-3-10-4-2-7/h1-4,13-14H,5-6H2,(H,11,12)
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175n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM50067910
PNG
(4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...)
Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
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200n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067910
PNG
(4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...)
Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
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200n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


J Med Chem 45: 3222-34 (2002)

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


(Escherichia coli)
BDBM39850
PNG
(Amide and sulfonamide derivatives, 34)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1
Show InChI InChI=1S/C18H12BCl3N2O7S/c20-14-7-12(24(27)28)4-5-17(14)31-18-15(21)8-13(9-16(18)22)32(29,30)23-11-3-1-2-10(6-11)19(25)26/h1-9,23,25-26H
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200n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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220n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39813
PNG
(Acylglycineboronic acid, 12)
Show SMILES OB(O)CNC(=O)CCl
Show InChI InChI=1S/C3H7BClNO3/c5-1-3(7)6-2-4(8)9/h8-9H,1-2H2,(H,6,7)
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240n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM39811
PNG
(Acylglycineboronic acid, 8)
Show SMILES CC(Oc1ccccc1)C(=O)NCB(O)O
Show InChI InChI=1S/C10H14BNO4/c1-8(10(13)12-7-11(14)15)16-9-5-3-2-4-6-9/h2-6,8,14-15H,7H2,1H3,(H,12,13)
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300n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM50149786
PNG
(Aza-boronic acid derivative | CHEMBL184695)
Show SMILES OB(O)c1cccc(c1)N=Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C16H13BN2O3/c20-15-9-8-11-4-1-2-7-14(11)16(15)19-18-13-6-3-5-12(10-13)17(21)22/h1-10,20-22H
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300n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50115621
PNG
((2-(thiophen-2-yl)acetamido)methylboronic acid | A...)
Show SMILES OB(O)CNC(=O)Cc1cccs1
Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
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320n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


J Med Chem 45: 3222-34 (2002)

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


(Escherichia coli)
BDBM50115621
PNG
((2-(thiophen-2-yl)acetamido)methylboronic acid | A...)
Show SMILES OB(O)CNC(=O)Cc1cccs1
Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
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320n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM39857
PNG
(Amide and sulfonamide derivatives, 42)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1
Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-4-8-17(9-5-13)31(27,28)21-15-6-10-18(11-7-15)32(29,30)22-16-3-1-2-14(12-16)20(25)26/h1-12,21-22,25-26H,(H,23,24)
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340n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50067891
PNG
(5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...)
Show SMILES OB(O)c1ccc(Cl)s1
Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
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410n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50149784
PNG
(Aza-boronic acid derivative | CHEMBL180679)
Show SMILES OB(O)c1cccc(c1)N=Nc1c(O)cc(O)c2ccccc12
Show InChI InChI=1S/C16H13BN2O4/c20-14-9-15(21)16(13-7-2-1-6-12(13)14)19-18-11-5-3-4-10(8-11)17(22)23/h1-9,20-23H
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450n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39851
PNG
(Amide and sulfonamide derivatives, 35)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
Show InChI InChI=1S/C20H17BN2O7S/c24-19(13-7-9-14(10-8-13)20(25)26)22-16-4-2-6-18(12-16)31(29,30)23-17-5-1-3-15(11-17)21(27)28/h1-12,23,27-28H,(H,22,24)(H,25,26)
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450n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50067911
PNG
(4-methylthiophene 2-boronic acid | CHEMBL334931)
Show SMILES Cc1csc(c1)B(O)O
Show InChI InChI=1S/C5H7BO2S/c1-4-2-5(6(7)8)9-3-4/h2-3,7-8H,1H3
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500n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39821
PNG
(Amide and sulfonamide derivatives, 5)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C20H21BN4O4S/c1-25(2)19-10-6-16(7-11-19)22-23-17-8-12-20(13-9-17)30(28,29)24-18-5-3-4-15(14-18)21(26)27/h3-14,24,26-27H,1-2H3/b23-22+
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530n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39809
PNG
(Acylglycineboronic acid, 6)
Show SMILES OB(O)CNC(=O)Cc1ccccc1
Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
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570n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM39852
PNG
(Amide and sulfonamide derivatives, 36)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C13H12BNO6S/c16-13(17)9-4-6-12(7-5-9)22(20,21)15-11-3-1-2-10(8-11)14(18)19/h1-8,15,18-19H,(H,16,17)
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620n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39822
PNG
(Amide and sulfonamide derivatives, 6)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C15H13BN2O4S/c19-16(20)12-6-2-7-13(10-12)18-23(21,22)14-8-1-4-11-5-3-9-17-15(11)14/h1-10,18-20H
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660n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39846
PNG
(Amide and sulfonamide derivatives, 30)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(c(Cl)s2)N(=O)=O)c1
Show InChI InChI=1S/C10H8BClN2O6S2/c12-10-8(14(17)18)5-9(21-10)22(19,20)13-7-3-1-2-6(4-7)11(15)16/h1-5,13,15-16H
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680n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50149778
PNG
(Aza-boronic acid derivative | CHEMBL179782)
Show SMILES OB(O)c1cccc(c1)N=Nc1ccc(O)cc1
Show InChI InChI=1S/C12H11BN2O3/c16-12-6-4-10(5-7-12)14-15-11-3-1-2-9(8-11)13(17)18/h1-8,16-18H
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700n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39810
PNG
(Acylglycineboronic acid, 7)
Show SMILES OB(O)CNC(=O)COc1ccccc1
Show InChI InChI=1S/C9H12BNO4/c12-9(11-7-10(13)14)6-15-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
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700n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.


Chem Biol 8: 17-31 (2001)

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


(Escherichia coli)
BDBM50149788
PNG
(Aza-boronic acid derivative | CHEMBL182522)
Show SMILES OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)cc(O)c2ccccc12
Show InChI InChI=1S/C22H17BN4O5/c28-19-12-21(30)22(17-7-2-1-6-16(17)19)27-25-15-8-9-18(20(29)11-15)26-24-14-5-3-4-13(10-14)23(31)32/h1-12,28-32H
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700n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39823
PNG
(Amide and sulfonamide derivatives, 7)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C13H11BF3NO5S/c15-13(16,17)23-11-4-6-12(7-5-11)24(21,22)18-10-3-1-2-9(8-10)14(19)20/h1-8,18-20H
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700n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39854
PNG
(Amide and sulfonamide derivatives, 38)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)N(=O)=O)c1
Show InChI InChI=1S/C12H11BN2O6S/c16-13(17)9-2-1-3-10(8-9)14-22(20,21)12-6-4-11(5-7-12)15(18)19/h1-8,14,16-17H
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770n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50067907
PNG
(CHEMBL342173 | benzo[b]thiophene3-boronic acid)
Show SMILES OB(O)c1csc2ccccc12
Show InChI InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
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780n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39824
PNG
(Amide and sulfonamide derivatives, 8)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2N(=O)=O)c1
Show InChI InChI=1S/C13H10BF3N2O7S/c15-13(16,17)26-10-4-5-12(11(7-10)19(22)23)27(24,25)18-9-3-1-2-8(6-9)14(20)21/h1-7,18,20-21H
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820n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39847
PNG
(Amide and sulfonamide derivatives, 31)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)c1
Show InChI InChI=1S/C18H16BClN2O5S2/c20-14-6-4-12(5-7-14)18(23)21-11-16-8-9-17(28-16)29(26,27)22-15-3-1-2-13(10-15)19(24)25/h1-10,22,24-25H,11H2,(H,21,23)
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860n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM39853
PNG
(Amide and sulfonamide derivatives, 37)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)N(=O)=O)c1
Show InChI InChI=1S/C12H11BN2O6S/c16-13(17)9-3-1-4-10(7-9)14-22(20,21)12-6-2-5-11(8-12)15(18)19/h1-8,14,16-17H
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900n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM50149785
PNG
(Aza-boronic acid derivative | CHEMBL184984)
Show SMILES OB(O)c1cccc(c1)N=Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C16H13BN2O3/c20-16-9-8-15(13-6-1-2-7-14(13)16)19-18-12-5-3-4-11(10-12)17(21)22/h1-10,20-22H
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900n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50324682
PNG
(3-(N-(4-carboxy-2-hydroxyphenyl)sulfamoyl)thiophen...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O
Show InChI InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM50149787
PNG
(Aza-boronic acid derivative | CHEMBL366099)
Show SMILES Cc1noc(C)c1\N=N\c1cccc(c1)B(O)O
Show InChI InChI=1S/C11H12BN3O3/c1-7-11(8(2)18-15-7)14-13-10-5-3-4-9(6-10)12(16)17/h3-6,16-17H,1-2H3/b14-13+
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1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Apparent inhibition constant against Escherichia coli AmpC beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39848
PNG
(Amide and sulfonamide derivatives, 32)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)c1
Show InChI InChI=1S/C18H17BN2O5S2/c22-18(13-5-2-1-3-6-13)20-12-16-9-10-17(27-16)28(25,26)21-15-8-4-7-14(11-15)19(23)24/h1-11,21,23-24H,12H2,(H,20,22)
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1.02E+3n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

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


(Escherichia coli)
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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1.10E+3n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM39855
PNG
(Amide and sulfonamide derivatives, 39)
Show SMILES Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C12H13BN2O4S/c14-10-4-2-6-12(8-10)20(18,19)15-11-5-1-3-9(7-11)13(16)17/h1-8,15-17H,14H2
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PubMed
1.20E+3n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)

More data for this
Ligand-Target Pair
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