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PubMed code 10853645

Compile data set for download or QSAR
Found 34 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


(Staphylococcus aureus)		BDBM50033680
PNG
(CHEMBL268919 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H19NO9S/c1-8(18)25-6-9-7-27(23,24)14-10(5-11(19)26-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088813
PNG
(CHEMBL166730 | Sodium; (R)-3-methyl-4-methylene-5,...)
Show SMILES CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C15H12N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,14H,2H2,1H3,(H,19,20)/p-1/b11-7-/t14-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088810
PNG
(CHEMBL353004 | Sodium; (R)-3-acetoxymethyl-4-methy...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C17H14N2O7S/c1-9-13(8-26-10(2)20)14(17(22)23)19-15(21)12(16(19)27(9,24)25)7-11-5-3-4-6-18-11/h3-7,16H,1,8H2,2H3,(H,22,23)/p-1/b12-7-/t16-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
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] |r|
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 290n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033701
PNG
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1
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n/an/a 498n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088815
PNG
(CHEMBL171001 | Sodium; (R)-4-(bis-methylsulfanyl-m...)
Show SMILES [#6]-[#16]\[#6](-[#16]-[#6])=[#6]1\[#6](-[#6])=[#6](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |c:7|
Show InChI InChI=1S/C17H16N2O5S3/c1-9-12(16(21)22)19-14(20)11(8-10-6-4-5-7-18-10)15(19)27(23,24)13(9)17(25-2)26-3/h4-8,15H,1-3H3,(H,21,22)/p-1/b11-8-/t15-/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088814
PNG
(CHEMBL169515 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C17H19NO9S/c1-8-11(7-26-9(2)19)13(16(22)23)18-14(21)10(15(18)28(8,24)25)6-12(20)27-17(3,4)5/h6,15H,1,7H2,2-5H3,(H,22,23)/p-1/b10-6-/t15-/m1/s1
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n/an/a 932n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088806
PNG
(CHEMBL169016 | Sodium; (R)-7-[1-tert-butoxycarbony...)
Show SMILES Cn1nnnc1SCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
Show InChI InChI=1S/C17H19N5O7S2/c1-8-10(7-30-16-18-19-20-21(16)5)12(15(25)26)22-13(24)9(14(22)31(8,27)28)6-11(23)29-17(2,3)4/h6,14H,1,7H2,2-5H3,(H,25,26)/p-1/b9-6-/t14-/m1/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088814
PNG
(CHEMBL169515 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C17H19NO9S/c1-8-11(7-26-9(2)19)13(16(22)23)18-14(21)10(15(18)28(8,24)25)6-12(20)27-17(3,4)5/h6,15H,1,7H2,2-5H3,(H,22,23)/p-1/b10-6-/t15-/m1/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088806
PNG
(CHEMBL169016 | Sodium; (R)-7-[1-tert-butoxycarbony...)
Show SMILES Cn1nnnc1SCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
Show InChI InChI=1S/C17H19N5O7S2/c1-8-10(7-30-16-18-19-20-21(16)5)12(15(25)26)22-13(24)9(14(22)31(8,27)28)6-11(23)29-17(2,3)4/h6,14H,1,7H2,2-5H3,(H,25,26)/p-1/b9-6-/t14-/m1/s1
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n/an/a 2.38E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088808
PNG
(CHEMBL355571 | [(R)-3-Acetoxymethyl-2-carboxy-4-me...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C13H11NO9S/c1-5-8(4-23-6(2)15)10(13(19)20)14-11(18)7(3-9(16)17)12(14)24(5,21)22/h3,12H,1,4H2,2H3,(H,16,17)(H,19,20)/p-2/b7-3-/t12-/m1/s1
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n/an/a 2.49E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
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] |r|
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 2.57E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088807
PNG
(CHEMBL435467 | Sodium; (R)-3,4-dimethyl-5,5,8-trio...)
Show SMILES CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3|
Show InChI InChI=1S/C15H14N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,9,14H,1-2H3,(H,19,20)/p-1/b11-7-/t9?,14-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033680
PNG
(CHEMBL268919 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H19NO9S/c1-8(18)25-6-9-7-27(23,24)14-10(5-11(19)26-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1
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n/an/a 6.56E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088812
PNG
(CHEMBL355246 | Sodium; (4S,6R)-3-methyl-4-(1-methy...)
Show SMILES CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C([O-])=O |t:1|
Show InChI InChI=1S/C16H14N6O5S2/c1-8-11(14(24)25)22-12(23)10(7-9-5-3-4-6-17-9)13(22)29(26,27)15(8)28-16-18-19-20-21(16)2/h3-7,13,15H,1-2H3,(H,24,25)/p-1/b10-7-/t13-,15+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088812
PNG
(CHEMBL355246 | Sodium; (4S,6R)-3-methyl-4-(1-methy...)
Show SMILES CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C([O-])=O |t:1|
Show InChI InChI=1S/C16H14N6O5S2/c1-8-11(14(24)25)22-12(23)10(7-9-5-3-4-6-17-9)13(22)29(26,27)15(8)28-16-18-19-20-21(16)2/h3-7,13,15H,1-2H3,(H,24,25)/p-1/b10-7-/t13-,15+/m1/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50033701
PNG
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1
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n/an/a 3.48E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088811
PNG
(CHEMBL166677 | [(R)-2-Carboxy-3-methyl-4-methylene...)
Show SMILES CC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C11H9NO7S/c1-4-5(2)20(18,19)10-6(3-7(13)14)9(15)12(10)8(4)11(16)17/h3,10H,2H2,1H3,(H,13,14)(H,16,17)/p-2/b6-3-/t10-/m1/s1
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n/an/a 3.68E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50088809
PNG
(CHEMBL355648 | Sodium; (R)-7-[1-tert-butoxycarbony...)
Show SMILES CC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C15H17NO7S/c1-7-8(2)24(21,22)13-9(6-10(17)23-15(3,4)5)12(18)16(13)11(7)14(19)20/h6,13H,2H2,1,3-5H3,(H,19,20)/p-1/b9-6-/t13-/m1/s1
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n/an/a 4.86E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(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] |r|
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 5.19E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of Class C beta-lactamase from E. cloacae strain P99

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088809
PNG
(CHEMBL355648 | Sodium; (R)-7-[1-tert-butoxycarbony...)
Show SMILES CC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C15H17NO7S/c1-7-8(2)24(21,22)13-9(6-10(17)23-15(3,4)5)12(18)16(13)11(7)14(19)20/h6,13H,2H2,1,3-5H3,(H,19,20)/p-1/b9-6-/t13-/m1/s1
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n/an/a 5.65E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088807
PNG
(CHEMBL435467 | Sodium; (R)-3,4-dimethyl-5,5,8-trio...)
Show SMILES CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3|
Show InChI InChI=1S/C15H14N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,9,14H,1-2H3,(H,19,20)/p-1/b11-7-/t9?,14-/m1/s1
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n/an/a 7.41E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088813
PNG
(CHEMBL166730 | Sodium; (R)-3-methyl-4-methylene-5,...)
Show SMILES CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C15H12N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,14H,2H2,1H3,(H,19,20)/p-1/b11-7-/t14-/m1/s1
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n/an/a 9.11E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088810
PNG
(CHEMBL353004 | Sodium; (R)-3-acetoxymethyl-4-methy...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C17H14N2O7S/c1-9-13(8-26-10(2)20)14(17(22)23)19-15(21)12(16(19)27(9,24)25)7-11-5-3-4-6-18-11/h3-7,16H,1,8H2,2H3,(H,22,23)/p-1/b12-7-/t16-/m1/s1
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n/an/a 9.92E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088807
PNG
(CHEMBL435467 | Sodium; (R)-3,4-dimethyl-5,5,8-trio...)
Show SMILES CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3|
Show InChI InChI=1S/C15H14N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,9,14H,1-2H3,(H,19,20)/p-1/b11-7-/t9?,14-/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
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088815
PNG
(CHEMBL171001 | Sodium; (R)-4-(bis-methylsulfanyl-m...)
Show SMILES [#6]-[#16]\[#6](-[#16]-[#6])=[#6]1\[#6](-[#6])=[#6](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |c:7|
Show InChI InChI=1S/C17H16N2O5S3/c1-9-12(16(21)22)19-14(20)11(8-10-6-4-5-7-18-10)15(19)27(23,24)13(9)17(25-2)26-3/h4-8,15H,1-3H3,(H,21,22)/p-1/b11-8-/t15-/m1/s1
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n/an/a 1.73E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088808
PNG
(CHEMBL355571 | [(R)-3-Acetoxymethyl-2-carboxy-4-me...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C13H11NO9S/c1-5-8(4-23-6(2)15)10(13(19)20)14-11(18)7(3-9(16)17)12(14)24(5,21)22/h3,12H,1,4H2,2H3,(H,16,17)(H,19,20)/p-2/b7-3-/t12-/m1/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088811
PNG
(CHEMBL166677 | [(R)-2-Carboxy-3-methyl-4-methylene...)
Show SMILES CC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C11H9NO7S/c1-4-5(2)20(18,19)10-6(3-7(13)14)9(15)12(10)8(4)11(16)17/h3,10H,2H2,1H3,(H,13,14)(H,16,17)/p-2/b6-3-/t10-/m1/s1
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n/an/a 2.77E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50033701
PNG
(CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O7S/c1-9(19)25-7-10-8-26(23,24)15-12(6-11-4-2-3-5-17-11)14(20)18(15)13(10)16(21)22/h2-6,15H,7-8H2,1H3,(H,21,22)/p-1/b12-6-/t15-/m1/s1
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n/an/a 4.02E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088808
PNG
(CHEMBL355571 | [(R)-3-Acetoxymethyl-2-carboxy-4-me...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C13H11NO9S/c1-5-8(4-23-6(2)15)10(13(19)20)14-11(18)7(3-9(16)17)12(14)24(5,21)22/h3,12H,1,4H2,2H3,(H,16,17)(H,19,20)/p-2/b7-3-/t12-/m1/s1
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n/an/a 4.98E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088810
PNG
(CHEMBL353004 | Sodium; (R)-3-acetoxymethyl-4-methy...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Show InChI InChI=1S/C17H14N2O7S/c1-9-13(8-26-10(2)20)14(17(22)23)19-15(21)12(16(19)27(9,24)25)7-11-5-3-4-6-18-11/h3-7,16H,1,8H2,2H3,(H,22,23)/p-1/b12-7-/t16-/m1/s1
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n/an/a 7.33E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088812
PNG
(CHEMBL355246 | Sodium; (4S,6R)-3-methyl-4-(1-methy...)
Show SMILES CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C([O-])=O |t:1|
Show InChI InChI=1S/C16H14N6O5S2/c1-8-11(14(24)25)22-12(23)10(7-9-5-3-4-6-17-9)13(22)29(26,27)15(8)28-16-18-19-20-21(16)2/h3-7,13,15H,1-2H3,(H,24,25)/p-1/b10-7-/t13-,15+/m1/s1
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n/an/a 8.44E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50033680
PNG
(CHEMBL268919 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C16H19NO9S/c1-8(18)25-6-9-7-27(23,24)14-10(5-11(19)26-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1
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n/an/a 9.77E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)		BDBM50088813
PNG
(CHEMBL166730 | Sodium; (R)-3-methyl-4-methylene-5,...)
Show SMILES CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
Show InChI InChI=1S/C15H12N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,14H,2H2,1H3,(H,19,20)/p-1/b11-7-/t14-/m1/s1
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n/an/a 1.86E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus

Bioorg Med Chem Lett 10: 847-51 (2000)


BindingDB Entry DOI: 10.7270/Q2NG4PVB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%