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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase TEM' AND taxid = 573   
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 TEM


(Enterobacter cloacae)
BDBM50088835
PNG
(CHEMBL433726 | Sodium; (R)-5,5,8-trioxo-3-[(E)-2-(...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1cccc[n+]1[O-]
Show InChI InChI=1S/C20H15N3O6S/c24-18-16(11-14-5-1-3-9-21-14)19-23(18)17(20(25)26)13(12-30(19,28)29)7-8-15-6-2-4-10-22(15)27/h1-11,19H,12H2,(H,25,26)/p-1/b8-7+,16-11-/t19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088827
PNG
(CHEMBL355558 | Sodium; 3-((E)-2-cyano-vinyl)-5,5,8...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C#N
Show InChI InChI=1S/C16H11N3O5S/c17-6-3-4-10-9-25(23,24)15-12(8-11-5-1-2-7-18-11)14(20)19(15)13(10)16(21)22/h1-5,7-8,15H,9H2,(H,21,22)/p-1/b4-3+,12-8-
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n/an/a 14n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088834
PNG
(CHEMBL169392 | Sodium; 3-((E)-2-methoxycarbonyl-vi...)
Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C17H14N2O7S/c1-26-13(20)6-5-10-9-27(24,25)16-12(8-11-4-2-3-7-18-11)15(21)19(16)14(10)17(22)23/h2-8,16H,9H2,1H3,(H,22,23)/p-1/b6-5+,12-8-
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n/an/a 20n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(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
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 60n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50088816
PNG
(CHEMBL167539 | Sodium; 3-((Z)-2-chloro-2-methoxyca...)
Show SMILES COC(=O)C(\Cl)=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C17H13ClN2O7S/c1-27-17(24)12(18)6-9-8-28(25,26)15-11(7-10-4-2-3-5-19-10)14(21)20(15)13(9)16(22)23/h2-7,15H,8H2,1H3,(H,22,23)/p-1/b11-7-,12-6-
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n/an/a 70n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088825
PNG
(CHEMBL353422 | Sodium; 3-((E)-2-nitro-vinyl)-5,5,8...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O7S/c19-13-11(7-10-3-1-2-5-16-10)14-18(13)12(15(20)21)9(4-6-17(22)23)8-26(14,24)25/h1-7,14H,8H2,(H,20,21)/p-1/b6-4+,11-7-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088831
PNG
(CHEMBL353613 | Sodium; 3-((E)-2-carbamoyl-vinyl)-5...)
Show SMILES NC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
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-
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n/an/a 90n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088826
PNG
(CHEMBL355165 | Sodium; (R)-5,5,8-trioxo-7-[1-pyrid...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1ccccn1
Show InChI InChI=1S/C20H15N3O5S/c24-18-16(11-15-6-2-4-10-22-15)19-23(18)17(20(25)26)13(12-29(19,27)28)7-8-14-5-1-3-9-21-14/h1-11,19H,12H2,(H,25,26)/p-1/b8-7+,16-11-/t19-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50157692
PNG
(CHEMBL1439 | CL-307579 | Sodium; (2S,3S,5R)-3-meth...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na]
Show InChI InChI=1S/C10H12N4O5S.Na/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);/q;+1/p-1/t7-,8+,10+;/m1./s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088818
PNG
(CHEMBL353978 | Sodium; 3-methoxymethyl-5,5,8-triox...)
Show SMILES COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C15H14N2O6S/c1-23-7-9-8-24(21,22)14-11(6-10-4-2-3-5-16-10)13(18)17(14)12(9)15(19)20/h2-6,14H,7-8H2,1H3,(H,19,20)/p-1/b11-6-
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n/an/a 700n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088824
PNG
(CHEMBL422212 | Sodium; 5,5,8-trioxo-3-(2-phenoxy-a...)
Show SMILES [O-]C(=O)C1=C(COC(=O)COc2ccccc2)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1
Show InChI InChI=1S/C22H18N2O8S/c25-18(12-31-16-7-2-1-3-8-16)32-11-14-13-33(29,30)21-17(10-15-6-4-5-9-23-15)20(26)24(21)19(14)22(27)28/h1-10,21H,11-13H2,(H,27,28)/p-1/b17-10-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088821
PNG
(CHEMBL353694 | Sodium; 3-((E)-2-carbamoyl-vinyl)-5...)
Show SMILES NC(=O)\C=C\C1=C(N2C(\C(=C/c3cccs3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C15H12N2O6S2/c16-11(18)4-3-8-7-25(22,23)14-10(6-9-2-1-5-24-9)13(19)17(14)12(8)15(20)21/h1-6,14H,7H2,(H2,16,18)(H,20,21)/p-1/b4-3+,10-6-
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Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088817
PNG
(CHEMBL355288 | Sodium; 3-cyano-5,5,8-trioxo-7-[1-p...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)C#N
Show InChI InChI=1S/C14H9N3O5S/c15-6-8-7-23(21,22)13-10(5-9-3-1-2-4-16-9)12(18)17(13)11(8)14(19)20/h1-5,13H,7H2,(H,19,20)/p-1/b10-5-
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n/an/a 2.34E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088829
PNG
(CHEMBL169373 | disodium (7Z)-4-methylene-3-[(1E)-3...)
Show SMILES [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O
Show InChI InChI=1S/C17H12N2O7S/c1-9-11(5-6-13(20)21)14(17(23)24)19-15(22)12(16(19)27(9,25)26)8-10-4-2-3-7-18-10/h2-8,16H,1H2,(H,20,21)(H,23,24)/p-2/b6-5+,12-8-
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n/an/a 2.50E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088822
PNG
(CHEMBL171999 | disodium (7Z)-3-[(1E)-3-oxido-3-oxo...)
Show SMILES [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C16H12N2O7S/c19-12(20)5-4-9-8-26(24,25)15-11(7-10-3-1-2-6-17-10)14(21)18(15)13(9)16(22)23/h1-7,15H,8H2,(H,19,20)(H,22,23)/p-2/b5-4+,11-7-
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n/an/a 2.50E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088837
PNG
(CHEMBL354754 | Sodium; 3-((E)-2-methoxycarbonyl-vi...)
Show SMILES COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O
Show InChI InChI=1S/C18H14N2O7S/c1-10-12(6-7-14(21)27-2)15(18(23)24)20-16(22)13(17(20)28(10,25)26)9-11-5-3-4-8-19-11/h3-9,17H,1H2,2H3,(H,23,24)/p-1/b7-6+,13-9-
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n/an/a 2.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088828
PNG
(CHEMBL169550 | Sodium; 3-cyanomethyl-5,5,8-trioxo-...)
Show SMILES [O-]C(=O)C1=C(CC#N)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1
Show InChI InChI=1S/C15H11N3O5S/c16-5-4-9-8-24(22,23)14-11(7-10-3-1-2-6-17-10)13(19)18(14)12(9)15(20)21/h1-3,6-7,14H,4,8H2,(H,20,21)/p-1/b11-7-
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n/an/a 5.60E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50092281
PNG
(3-[4-Oxo-2-thioxo-thiazolidin-(5E)-ylidene]-1,3-di...)
Show SMILES SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,14)(H,13,15,16)
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n/an/a 8.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50088836
PNG
(CHEMBL354758 | Sodium; 3-carbamoyloxymethyl-5,5,8-...)
Show SMILES NC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C15H13N3O7S/c16-15(22)25-6-8-7-26(23,24)13-10(5-9-3-1-2-4-17-9)12(19)18(13)11(8)14(20)21/h1-5,13H,6-7H2,(H2,16,22)(H,20,21)/p-1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088823
PNG
(CHEMBL169303 | Sodium; 3-[2-(3,4-dihydroxy-phenyl)...)
Show SMILES Oc1ccc(CC(=O)OCC2=C(N3C(\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1O
Show InChI InChI=1S/C22H18N2O9S/c25-16-5-4-12(7-17(16)26)8-18(27)33-10-13-11-34(31,32)21-15(9-14-3-1-2-6-23-14)20(28)24(21)19(13)22(29)30/h1-7,9,21,25-26H,8,10-11H2,(H,29,30)/p-1/b15-9-
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n/an/a 1.74E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50092279
PNG
(5-[3-Phenyl-prop-(Z)-ylidene]-2-thioxo-thiazolidin...)
Show SMILES Oc1nc(S)sc1C=CCc1ccccc1
Show InChI InChI=1S/C12H11NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-6,8,14H,7H2,(H,13,15)
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n/an/a 3.20E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092269
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O5S/c13-9-7(18-10(14)11-9)3-1-2-6-4-5-8(17-6)12(15)16/h1-5H,(H,11,13,14)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50088833
PNG
(CHEMBL167311 | Sodium; 3-((E)-buta-1,3-dienyl)-5,5...)
Show SMILES [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C=C
Show InChI InChI=1S/C17H14N2O5S/c1-2-3-6-11-10-25(23,24)16-13(9-12-7-4-5-8-18-12)15(20)19(16)14(11)17(21)22/h2-9,16H,1,10H2,(H,21,22)/p-1/b6-3+,13-9-
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n/an/a 6.80E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50092283
PNG
(5-[(E)-3-(4-Nitro-phenyl)-prop-2-en-(Z)-ylidene]-2...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C12H8N2O3S2/c15-11-10(19-12(18)13-11)3-1-2-8-4-6-9(7-5-8)14(16)17/h1-7H,(H,13,15,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092284
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1
Show InChI InChI=1S/C10H6N2O4S2/c13-9-7(18-10(17)11-9)3-1-2-6-4-5-8(16-6)12(14)15/h1-5H,(H,11,13,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092286
PNG
(5-[(E)-3-(4-Dimethylamino-phenyl)-prop-2-en-(Z)-yl...)
Show SMILES CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C14H14N2OS2/c1-16(2)11-8-6-10(7-9-11)4-3-5-12-13(17)15-14(18)19-12/h3-9H,1-2H3,(H,15,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092282
PNG
(5-[(E)-3-Furan-2-yl-prop-2-en-(Z)-ylidene]-2-thiox...)
Show SMILES SC1=NC(=O)C(S1)=CC=Cc1ccco1
Show InChI InChI=1S/C10H7NO2S2/c12-9-8(15-10(14)11-9)5-1-3-7-4-2-6-13-7/h1-6H,(H,11,12,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092288
PNG
(5-[1-Phenyl-meth-(Z)-ylidene]-3-([1,3,4]thiadiazol...)
Show SMILES O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
Show InChI InChI=1S/C13H10N4OS3/c18-11-10(6-9-4-2-1-3-5-9)21-13(19)17(11)7-14-12-16-15-8-20-12/h1-6,8H,7H2,(H,14,16)/b10-6-
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n/an/a 1.38E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092274
PNG
(CHEMBL308010 | N-{2-[4-Oxo-2-thioxo-thiazolidin-(5...)
Show SMILES CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C12H10N2O2S2/c1-7(15)13-9-5-3-2-4-8(9)6-10-11(16)14-12(17)18-10/h2-6H,1H3,(H,13,15)(H,14,16,17)
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n/an/a 1.90E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50088832
PNG
(CHEMBL171049 | Sodium; 3-ethoxycarbonylmethylcarba...)
Show SMILES CCOC(=O)CNC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C19H19N3O9S/c1-2-30-14(23)8-21-19(27)31-9-11-10-32(28,29)17-13(7-12-5-3-4-6-20-12)16(24)22(17)15(11)18(25)26/h3-7,17H,2,8-10H2,1H3,(H,21,27)(H,25,26)/p-1
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n/an/a 2.60E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50088819
PNG
(CHEMBL172564 | Sodium; 5,5,8-trioxo-3-propionyloxy...)
Show SMILES CCC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C17H16N2O7S/c1-2-13(20)26-8-10-9-27(24,25)16-12(7-11-5-3-4-6-18-11)15(21)19(16)14(10)17(22)23/h3-7,16H,2,8-9H2,1H3,(H,22,23)/p-1/b12-7-
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n/an/a 3.11E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae


Bioorg Med Chem Lett 10: 853-7 (2000)

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


(Enterobacter cloacae)
BDBM50092280
PNG
((Z)-5-Benzylidene-3-ethyl-2-thioxothiazolidin-4-on...)
Show SMILES CCN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
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n/an/a 4.32E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092273
PNG
((Z)-5-(2'-Hydroxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES Oc1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092272
PNG
(2-[4-Oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-...)
Show SMILES OC(=O)c1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-3-1-2-4-7(6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092270
PNG
(5-[1-(1-Phenyl-1H-imidazol-4-yl)-meth-(Z)-ylidene]...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C13H9N3OS2/c17-12-11(19-13(18)15-12)6-9-7-16(8-14-9)10-4-2-1-3-5-10/h1-8H,(H,15,17,18)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092271
PNG
((Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1
Show InChI InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092275
PNG
(5-[1-(1-Phenyl-1H-[1,2,3]triazol-4-yl)-meth-(Z)-yl...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C12H8N4OS2/c17-11-10(19-12(18)13-11)6-8-7-16(15-14-8)9-4-2-1-3-5-9/h1-7H,(H,13,17,18)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092285
PNG
(4-[4-Oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N
Show InChI InChI=1S/C11H6N2OS2/c12-6-8-3-1-7(2-4-8)5-9-10(14)13-11(15)16-9/h1-5H,(H,13,14,15)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092287
PNG
((Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-y...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C12H9NO3S2/c14-10(15)7-13-11(16)9(18-12(13)17)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/b9-6-
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092276
PNG
(5-[(E)-3-Phenyl-prop-2-en-(Z)-ylidene]-2-thioxo-th...)
Show SMILES SC1=NC(=O)C(S1)=CC=Cc1ccccc1
Show InChI InChI=1S/C12H9NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092268
PNG
(5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one |...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H,11,13,16)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092278
PNG
((Z)-5-(2-Nitrobenzylidene)-2-thioxothiazolidin-4-o...)
Show SMILES [O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H,11,13,16)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

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


(Enterobacter cloacae)
BDBM50092267
PNG
(5-[1-Phenyl-meth-(Z)-ylidene]-3-[(1H-tetrazol-5-yl...)
Show SMILES O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1
Show InChI InChI=1S/C12H10N6OS2/c19-10-9(6-8-4-2-1-3-5-8)21-12(20)18(10)7-13-11-14-16-17-15-11/h1-6H,7H2,(H2,13,14,15,16,17)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli


Bioorg Med Chem Lett 10: 2179-82 (2001)

More data for this
Ligand-Target Pair