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PubMed code 12039585

Compile data set for download or QSAR
Found 52 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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-lactamase


(Enterobacter cloacae)		BDBM50114512
PNG
(CHEMBL45136 | Sodium; (R)-3-bromo-5,5,8-trioxo-7-[...)
Show SMILES [O-]C(=O)C1=C(Br)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9BrN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114505
PNG
(CHEMBL295625 | Sodium; (R)-3-chloro-5,5,8-trioxo-7...)
Show SMILES [O-]C(=O)C1=C(Cl)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9ClN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114504
PNG
(CHEMBL45084 | Sodium; (R)-3-iodo-5,5,8-trioxo-7-[1...)
Show SMILES [O-]C(=O)C1=C(I)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9IN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114514
PNG
(CHEMBL44932 | Sodium; (R)-3-[(E)-2-(2-guanidino-et...)
Show SMILES NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:9.8,16.16,t:11|
Show InChI InChI=1S/C19H20N6O6S/c20-19(21)24-8-7-23-14(26)5-4-11-10-32(30,31)17-13(9-12-3-1-2-6-22-12)16(27)25(17)15(11)18(28)29/h1-6,9,17H,7-8,10H2,(H,23,26)(H,28,29)(H4,20,21,24)/p-1/t17-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114518
PNG
(CHEMBL297805 | Sodium; (R)-3-methanesulfonyl-5,5,8...)
Show SMILES CS(=O)(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:4|
Show InChI InChI=1S/C14H12N2O7S2/c1-24(20,21)10-7-25(22,23)13-9(6-8-4-2-3-5-15-8)12(17)16(13)11(10)14(18)19/h2-6,13H,7H2,1H3,(H,18,19)/p-1/b9-6-/t13-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114514
PNG
(CHEMBL44932 | Sodium; (R)-3-[(E)-2-(2-guanidino-et...)
Show SMILES NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:9.8,16.16,t:11|
Show InChI InChI=1S/C19H20N6O6S/c20-19(21)24-8-7-23-14(26)5-4-11-10-32(30,31)17-13(9-12-3-1-2-6-22-12)16(27)25(17)15(11)18(28)29/h1-6,9,17H,7-8,10H2,(H,23,26)(H,28,29)(H4,20,21,24)/p-1/t17-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114516
PNG
(CHEMBL295322 | Sodium; (R)-3-benzenesulfonyl-5,5,8...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)S(=O)(=O)c1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O7S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-29(18,25)26)30(27,28)13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114503
PNG
(CHEMBL46478 | Sodium; (R)-3-fluoro-5,5,8-trioxo-7-...)
Show SMILES [O-]C(=O)C1=C(F)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9FN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114521
PNG
(CHEMBL42528 | Sodium; (R)-5,5,8-trioxo-3-phenylsul...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O5S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-28(18,25)26)27-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114501
PNG
(CHEMBL289979 | Sodium; (R)-3-((E)-2-carbamoyl-viny...)
Show SMILES NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H13N3O6S/c17-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-18-10)14(21)19(15)13(9)16(22)23/h1-7,15H,8H2,(H2,17,20)(H,22,23)/p-1/b5-4+,11-7-/t15-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114521
PNG
(CHEMBL42528 | Sodium; (R)-5,5,8-trioxo-3-phenylsul...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O5S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-28(18,25)26)27-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114508
PNG
(CHEMBL46958 | Disodium; (R)-3-carboxy-5,5,8-trioxo...)
Show SMILES [O-]C(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
Show InChI InChI=1S/C14H10N2O7S/c17-11-8(5-7-3-1-2-4-15-7)12-16(11)10(14(20)21)9(13(18)19)6-24(12,22)23/h1-5,12H,6H2,(H,18,19)(H,20,21)/p-2/b8-5-/t12-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114506
PNG
(CHEMBL44278 | Sodium; (R)-3-[(E)-2-(4-hydroxy-phen...)
Show SMILES Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 |t:10|
Show InChI InChI=1S/C22H17N3O7S/c26-16-7-5-14(6-8-16)24-18(27)9-4-13-12-33(31,32)21-17(11-15-3-1-2-10-23-15)20(28)25(21)19(13)22(29)30/h1-11,21,26H,12H2,(H,24,27)(H,29,30)/p-1/b9-4+,17-11-/t21-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114525
PNG
(CHEMBL296738 | Sodium; (R)-5,5,8-trioxo-3-phenyl-7...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O5S/c22-17-14(10-13-8-4-5-9-20-13)18-21(17)16(19(23)24)15(11-27(18,25)26)12-6-2-1-3-7-12/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114523
PNG
(CHEMBL45273 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3|
Show InChI InChI=1S/C17H12N2O5S2/c20-15-11(8-10-4-1-2-6-18-10)16-19(15)14(17(21)22)12(9-26(16,23)24)13-5-3-7-25-13/h1-8,16H,9H2,(H,21,22)/p-1/b11-8-/t16-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114515
PNG
(CHEMBL416447 | Sodium; (R)-3-[(E)-3-(4-methyl-pipe...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:12|
Show InChI InChI=1S/C21H22N4O6S/c1-23-8-10-24(11-9-23)17(26)6-5-14-13-32(30,31)20-16(12-15-4-2-3-7-22-15)19(27)25(20)18(14)21(28)29/h2-7,12,20H,8-11,13H2,1H3,(H,28,29)/p-1/b6-5+,16-12-/t20-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114522
PNG
(CHEMBL297671 | Sodium; (R)-3-methylsulfanyl-5,5,8-...)
Show SMILES CSC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:2|
Show InChI InChI=1S/C14H12N2O5S2/c1-22-10-7-23(20,21)13-9(6-8-4-2-3-5-15-8)12(17)16(13)11(10)14(18)19/h2-6,13H,7H2,1H3,(H,18,19)/p-1/b9-6-/t13-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114524
PNG
(CHEMBL47198 | Sodium; (R)-3-[(E)-2-(2-hydroxy-ethy...)
Show SMILES OCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:8|
Show InChI InChI=1S/C18H17N3O7S/c22-8-7-20-14(23)5-4-11-10-29(27,28)17-13(9-12-3-1-2-6-19-12)16(24)21(17)15(11)18(25)26/h1-6,9,17,22H,7-8,10H2,(H,20,23)(H,25,26)/p-1/b5-4+,13-9-/t17-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114513
PNG
(CHEMBL44813 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3|
Show InChI InChI=1S/C18H14F3N3O6S/c19-18(20,21)9-23-13(25)5-4-10-8-31(29,30)16-12(7-11-3-1-2-6-22-11)15(26)24(16)14(10)17(27)28/h1-7,16H,8-9H2,(H,23,25)(H,27,28)/p-1/b5-4+,12-7-/t16-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114518
PNG
(CHEMBL297805 | Sodium; (R)-3-methanesulfonyl-5,5,8...)
Show SMILES CS(=O)(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:4|
Show InChI InChI=1S/C14H12N2O7S2/c1-24(20,21)10-7-25(22,23)13-9(6-8-4-2-3-5-15-8)12(17)16(13)11(10)14(18)19/h2-6,13H,7H2,1H3,(H,18,19)/p-1/b9-6-/t13-/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114509
PNG
(CHEMBL290072 | Sodium; (R)-3-((E)-2-benzylcarbamoy...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCc1ccccc1 |t:3|
Show InChI InChI=1S/C23H19N3O6S/c27-19(25-13-15-6-2-1-3-7-15)10-9-16-14-33(31,32)22-18(12-17-8-4-5-11-24-17)21(28)26(22)20(16)23(29)30/h1-12,22H,13-14H2,(H,25,27)(H,29,30)/p-1/b10-9+,18-12-/t22-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114506
PNG
(CHEMBL44278 | Sodium; (R)-3-[(E)-2-(4-hydroxy-phen...)
Show SMILES Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 |t:10|
Show InChI InChI=1S/C22H17N3O7S/c26-16-7-5-14(6-8-16)24-18(27)9-4-13-12-33(31,32)21-17(11-15-3-1-2-10-23-15)20(28)25(21)19(13)22(29)30/h1-11,21,26H,12H2,(H,24,27)(H,29,30)/p-1/b9-4+,17-11-/t21-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114520
PNG
(CHEMBL289526 | Sodium; (R)-5,5,8-trioxo-7-[1-pyrid...)
Show SMILES [O-]C(=O)C1=CCS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |t:3|
Show InChI InChI=1S/C13H10N2O5S/c16-11-9(7-8-3-1-2-5-14-8)12-15(11)10(13(17)18)4-6-21(12,19)20/h1-5,7,12H,6H2,(H,17,18)/p-1/b9-7-/t12-/m1/s1
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n/an/a 116n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114517
PNG
(CHEMBL297253 | Sodium; (R)-5,5,8-trioxo-3-((E)-2-p...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)Nc1c(F)c(F)c(F)c(F)c1F |t:3|
Show InChI InChI=1S/C22H12F5N3O6S/c23-13-14(24)16(26)18(17(27)15(13)25)29-12(31)5-4-9-8-37(35,36)21-11(7-10-3-1-2-6-28-10)20(32)30(21)19(9)22(33)34/h1-7,21H,8H2,(H,29,31)(H,33,34)/p-1/b5-4+,11-7-/t21-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114519
PNG
(CHEMBL415918 | Sodium; (R)-3-((E)-2-hydroxycarbamo...)
Show SMILES ONC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
Show InChI InChI=1S/C16H13N3O7S/c20-12(18-24)5-4-9-8-27(25,26)15-11(7-10-3-1-2-6-17-10)14(21)19(15)13(9)16(22)23/h1-7,15,24H,8H2,(H,18,20)(H,22,23)/p-1/b5-4+,11-7-/t15-/m1/s1
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n/an/a 128n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114516
PNG
(CHEMBL295322 | Sodium; (R)-3-benzenesulfonyl-5,5,8...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)S(=O)(=O)c1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O7S2/c22-17-14(10-12-6-4-5-9-20-12)18-21(17)16(19(23)24)15(11-29(18,25)26)30(27,28)13-7-2-1-3-8-13/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
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n/an/a 174n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114524
PNG
(CHEMBL47198 | Sodium; (R)-3-[(E)-2-(2-hydroxy-ethy...)
Show SMILES OCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:8|
Show InChI InChI=1S/C18H17N3O7S/c22-8-7-20-14(23)5-4-11-10-29(27,28)17-13(9-12-3-1-2-6-19-12)16(24)21(17)15(11)18(25)26/h1-6,9,17,22H,7-8,10H2,(H,20,23)(H,25,26)/p-1/b5-4+,13-9-/t17-/m1/s1
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n/an/a 212n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114507
PNG
(CHEMBL43955 | Sodium; (R)-3-((E)-2-cyclopropylcarb...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NC1CC1 |t:3|
Show InChI InChI=1S/C19H17N3O6S/c23-15(21-12-5-6-12)7-4-11-10-29(27,28)18-14(9-13-3-1-2-8-20-13)17(24)22(18)16(11)19(25)26/h1-4,7-9,12,18H,5-6,10H2,(H,21,23)(H,25,26)/p-1/b7-4+,14-9-/t18-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(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 |r|
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 250n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114501
PNG
(CHEMBL289979 | Sodium; (R)-3-((E)-2-carbamoyl-viny...)
Show SMILES NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H13N3O6S/c17-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-18-10)14(21)19(15)13(9)16(22)23/h1-7,15H,8H2,(H2,17,20)(H,22,23)/p-1/b5-4+,11-7-/t15-/m1/s1
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n/an/a 262n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114502
PNG
(CHEMBL44588 | Disodium; (R)-5,5,8-trioxo-3-[(E)-2-...)
Show SMILES [O-]C(=O)CNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
Show InChI InChI=1S/C18H15N3O8S/c22-13(20-8-14(23)24)5-4-10-9-30(28,29)17-12(7-11-3-1-2-6-19-11)16(25)21(17)15(10)18(26)27/h1-7,17H,8-9H2,(H,20,22)(H,23,24)(H,26,27)/p-2/b5-4+,12-7-/t17-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114511
PNG
(CHEMBL44754 | Sodium; (R)-3-((E)-2-hydrazinocarbon...)
Show SMILES NNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
Show InChI InChI=1S/C16H14N4O6S/c17-19-12(21)5-4-9-8-27(25,26)15-11(7-10-3-1-2-6-18-10)14(22)20(15)13(9)16(23)24/h1-7,15H,8,17H2,(H,19,21)(H,23,24)/p-1/b5-4+,11-7-/t15-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114512
PNG
(CHEMBL45136 | Sodium; (R)-3-bromo-5,5,8-trioxo-7-[...)
Show SMILES [O-]C(=O)C1=C(Br)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9BrN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 791n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114507
PNG
(CHEMBL43955 | Sodium; (R)-3-((E)-2-cyclopropylcarb...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NC1CC1 |t:3|
Show InChI InChI=1S/C19H17N3O6S/c23-15(21-12-5-6-12)7-4-11-10-29(27,28)18-14(9-13-3-1-2-8-20-13)17(24)22(18)16(11)19(25)26/h1-4,7-9,12,18H,5-6,10H2,(H,21,23)(H,25,26)/p-1/b7-4+,14-9-/t18-/m1/s1
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n/an/a 824n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114522
PNG
(CHEMBL297671 | Sodium; (R)-3-methylsulfanyl-5,5,8-...)
Show SMILES CSC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:2|
Show InChI InChI=1S/C14H12N2O5S2/c1-22-10-7-23(20,21)13-9(6-8-4-2-3-5-15-8)12(17)16(13)11(10)14(18)19/h2-6,13H,7H2,1H3,(H,18,19)/p-1/b9-6-/t13-/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114511
PNG
(CHEMBL44754 | Sodium; (R)-3-((E)-2-hydrazinocarbon...)
Show SMILES NNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
Show InChI InChI=1S/C16H14N4O6S/c17-19-12(21)5-4-9-8-27(25,26)15-11(7-10-3-1-2-6-18-10)14(22)20(15)13(9)16(23)24/h1-7,15H,8,17H2,(H,19,21)(H,23,24)/p-1/b5-4+,11-7-/t15-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114513
PNG
(CHEMBL44813 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3|
Show InChI InChI=1S/C18H14F3N3O6S/c19-18(20,21)9-23-13(25)5-4-10-8-31(29,30)16-12(7-11-3-1-2-6-22-11)15(26)24(16)14(10)17(27)28/h1-7,16H,8-9H2,(H,23,25)(H,27,28)/p-1/b5-4+,12-7-/t16-/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114504
PNG
(CHEMBL45084 | Sodium; (R)-3-iodo-5,5,8-trioxo-7-[1...)
Show SMILES [O-]C(=O)C1=C(I)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9IN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114509
PNG
(CHEMBL290072 | Sodium; (R)-3-((E)-2-benzylcarbamoy...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCc1ccccc1 |t:3|
Show InChI InChI=1S/C23H19N3O6S/c27-19(25-13-15-6-2-1-3-7-15)10-9-16-14-33(31,32)22-18(12-17-8-4-5-11-24-17)21(28)26(22)20(16)23(29)30/h1-12,22H,13-14H2,(H,25,27)(H,29,30)/p-1/b10-9+,18-12-/t22-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114510
PNG
(CHEMBL44274 | Sodium; (R)-3-[(E)-2-(3-amino-propyl...)
Show SMILES NCCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
Show InChI InChI=1S/C19H20N4O6S/c20-7-3-9-22-15(24)6-5-12-11-30(28,29)18-14(10-13-4-1-2-8-21-13)17(25)23(18)16(12)19(26)27/h1-2,4-6,8,10,18H,3,7,9,11,20H2,(H,22,24)(H,26,27)/p-1/b6-5+,14-10-/t18-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114505
PNG
(CHEMBL295625 | Sodium; (R)-3-chloro-5,5,8-trioxo-7...)
Show SMILES [O-]C(=O)C1=C(Cl)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9ClN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114503
PNG
(CHEMBL46478 | Sodium; (R)-3-fluoro-5,5,8-trioxo-7-...)
Show SMILES [O-]C(=O)C1=C(F)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
Show InChI InChI=1S/C13H9FN2O5S/c14-9-6-22(20,21)12-8(5-7-3-1-2-4-15-7)11(17)16(12)10(9)13(18)19/h1-5,12H,6H2,(H,18,19)/p-1/b8-5-/t12-/m1/s1
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n/an/a 1.84E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114523
PNG
(CHEMBL45273 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridi...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3|
Show InChI InChI=1S/C17H12N2O5S2/c20-15-11(8-10-4-1-2-6-18-10)16-19(15)14(17(21)22)12(9-26(16,23)24)13-5-3-7-25-13/h1-8,16H,9H2,(H,21,22)/p-1/b11-8-/t16-/m1/s1
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n/an/a 3.54E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114510
PNG
(CHEMBL44274 | Sodium; (R)-3-[(E)-2-(3-amino-propyl...)
Show SMILES NCCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
Show InChI InChI=1S/C19H20N4O6S/c20-7-3-9-22-15(24)6-5-12-11-30(28,29)18-14(10-13-4-1-2-8-21-13)17(25)23(18)16(12)19(26)27/h1-2,4-6,8,10,18H,3,7,9,11,20H2,(H,22,24)(H,26,27)/p-1/b6-5+,14-10-/t18-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114502
PNG
(CHEMBL44588 | Disodium; (R)-5,5,8-trioxo-3-[(E)-2-...)
Show SMILES [O-]C(=O)CNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
Show InChI InChI=1S/C18H15N3O8S/c22-13(20-8-14(23)24)5-4-10-9-30(28,29)17-12(7-11-3-1-2-6-19-11)16(25)21(17)15(10)18(26)27/h1-7,17H,8-9H2,(H,20,22)(H,23,24)(H,26,27)/p-2/b5-4+,12-7-/t17-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114517
PNG
(CHEMBL297253 | Sodium; (R)-5,5,8-trioxo-3-((E)-2-p...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)Nc1c(F)c(F)c(F)c(F)c1F |t:3|
Show InChI InChI=1S/C22H12F5N3O6S/c23-13-14(24)16(26)18(17(27)15(13)25)29-12(31)5-4-9-8-37(35,36)21-11(7-10-3-1-2-6-28-10)20(32)30(21)19(9)22(33)34/h1-7,21H,8H2,(H,29,31)(H,33,34)/p-1/b5-4+,11-7-/t21-/m1/s1
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n/an/a 4.28E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50114515
PNG
(CHEMBL416447 | Sodium; (R)-3-[(E)-3-(4-methyl-pipe...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:12|
Show InChI InChI=1S/C21H22N4O6S/c1-23-8-10-24(11-9-23)17(26)6-5-14-13-32(30,31)20-16(12-15-4-2-3-7-22-15)19(27)25(20)18(14)21(28)29/h2-7,12,20H,8-11,13H2,1H3,(H,28,29)/p-1/b6-5+,16-12-/t20-/m1/s1
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n/an/a 6.34E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114519
PNG
(CHEMBL415918 | Sodium; (R)-3-((E)-2-hydroxycarbamo...)
Show SMILES ONC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
Show InChI InChI=1S/C16H13N3O7S/c20-12(18-24)5-4-9-8-27(25,26)15-11(7-10-3-1-2-6-17-10)14(21)19(15)13(9)16(22)23/h1-7,15,24H,8H2,(H,18,20)(H,22,23)/p-1/b5-4+,11-7-/t15-/m1/s1
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n/an/a 7.69E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114525
PNG
(CHEMBL296738 | Sodium; (R)-5,5,8-trioxo-3-phenyl-7...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1ccccc1 |t:3|
Show InChI InChI=1S/C19H14N2O5S/c22-17-14(10-13-8-4-5-9-20-13)18-21(17)16(19(23)24)15(11-27(18,25)26)12-6-2-1-3-7-12/h1-10,18H,11H2,(H,23,24)/p-1/b14-10-/t18-/m1/s1
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n/an/a 9.14E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114508
PNG
(CHEMBL46958 | Disodium; (R)-3-carboxy-5,5,8-trioxo...)
Show SMILES [O-]C(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
Show InChI InChI=1S/C14H10N2O7S/c17-11-8(5-7-3-1-2-4-15-7)12-16(11)10(14(20)21)9(13(18)19)6-24(12,22)23/h1-5,12H,6H2,(H,18,19)(H,20,21)/p-2/b8-5-/t12-/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50114520
PNG
(CHEMBL289526 | Sodium; (R)-5,5,8-trioxo-7-[1-pyrid...)
Show SMILES [O-]C(=O)C1=CCS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |t:3|
Show InChI InChI=1S/C13H10N2O5S/c16-11-9(7-8-3-1-2-5-14-8)12-15(11)10(13(17)18)4-6-21(12,19)20/h1-5,7,12H,6H2,(H,17,18)/p-1/b9-7-/t12-/m1/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against class A TEM-1 beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		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 |r|
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 1.02E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibitory activity against Class C beta-lactamase

Bioorg Med Chem Lett 12: 1663-6 (2002)


BindingDB Entry DOI: 10.7270/Q2MC8ZB3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%