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PubMed code 10853646

Compile data set for download or QSAR
Found 79 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 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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 10n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 10n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 12n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against the GC1 extended spectrum Class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 20n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against the GC1 extended spectrum Class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 26n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 29n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


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



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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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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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50088820
PNG
(CHEMBL169154 | Sodium; 3-acryloyloxymethyl-5,5,8-t...)
Show SMILES [O-]C(=O)C1=C(COC(=O)C=C)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1
Show InChI InChI=1S/C17H14N2O7S/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/h2-7,16H,1,8-9H2,(H,22,23)/p-1/b12-7-
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n/an/a 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 100n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 130n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 180n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 180n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 200n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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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n/an/a 200n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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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n/an/a 200n/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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 260n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 290n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 300n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 300n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 310n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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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n/an/a 320n/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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 400n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 600n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 720n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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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n/an/a 800n/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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 900n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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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n/an/a 900n/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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50088820
PNG
(CHEMBL169154 | Sodium; 3-acryloyloxymethyl-5,5,8-t...)
Show SMILES [O-]C(=O)C1=C(COC(=O)C=C)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1
Show InChI InChI=1S/C17H14N2O7S/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/h2-7,16H,1,8-9H2,(H,22,23)/p-1/b12-7-
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n/an/a 900n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 900n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 1.20E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 1.40E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50088830
PNG
(CHEMBL353230 | Sodium; 3-((E)-2-tert-butoxycarbony...)
Show SMILES CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C20H20N2O7S/c1-20(2,3)29-15(23)8-7-12-11-30(27,28)18-14(10-13-6-4-5-9-21-13)17(24)22(18)16(12)19(25)26/h4-10,18H,11H2,1-3H3,(H,25,26)/p-1/b8-7+,14-10-
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n/an/a 1.48E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 2.30E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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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n/an/a 2.80E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 3.40E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 3.60E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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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n/an/a 4.30E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 6.00E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 6.60E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 7.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 8.60E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 8.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 1.54E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 2.40E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 2.80E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 3.10E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 3.34E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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 4.50E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(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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n/an/a 4.98E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 6.70E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 7.50E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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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n/an/a 1.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088820
PNG
(CHEMBL169154 | Sodium; 3-acryloyloxymethyl-5,5,8-t...)
Show SMILES [O-]C(=O)C1=C(COC(=O)C=C)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1
Show InChI InChI=1S/C17H14N2O7S/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/h2-7,16H,1,8-9H2,(H,22,23)/p-1/b12-7-
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n/an/a 1.10E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50088838
PNG
(CHEMBL355161 | Sodium; 3-((E)-2-tert-butoxycarbony...)
Show SMILES CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O
Show InChI InChI=1S/C21H20N2O7S/c1-12-14(8-9-16(24)30-21(2,3)4)17(20(26)27)23-18(25)15(19(23)31(12,28)29)11-13-7-5-6-10-22-13/h5-11,19H,1H2,2-4H3,(H,26,27)/p-1/b9-8+,15-11-
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n/an/a 1.50E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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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n/an/a 1.54E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50088830
PNG
(CHEMBL353230 | Sodium; 3-((E)-2-tert-butoxycarbony...)
Show SMILES CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
Show InChI InChI=1S/C20H20N2O7S/c1-20(2,3)29-15(23)8-7-12-11-30(27,28)18-14(10-13-6-4-5-9-21-13)17(24)22(18)16(12)19(25)26/h4-10,18H,11H2,1-3H3,(H,25,26)/p-1/b8-7+,14-10-
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n/an/a 2.40E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
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 2.80E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
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)


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
Beta-lactamase class C


(Enterobacter cloacae)
BDBM50088838
PNG
(CHEMBL355161 | Sodium; 3-((E)-2-tert-butoxycarbony...)
Show SMILES CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O
Show InChI InChI=1S/C21H20N2O7S/c1-12-14(8-9-16(24)30-21(2,3)4)17(20(26)27)23-18(25)15(19(23)31(12,28)29)11-13-7-5-6-10-22-13/h5-11,19H,1H2,2-4H3,(H,26,27)/p-1/b9-8+,15-11-
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n/an/a 4.40E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


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


Article DOI: 10.1016/s0960-894x(00)00098-6
BindingDB Entry DOI: 10.7270/Q2HQ3Z41
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%