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PubMed code 7699694

Compile data set for download or QSAR
Found 66 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


(Escherichia coli)		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 5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		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 25n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Escherichia coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
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 25n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
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 25n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033690
PNG
(CHEMBL416327 | Sodium; (R)-3-acetoxymethyl-7-(3,3-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
Show InChI InChI=1S/C16H19NO7S/c1-9(18)24-7-10-8-25(22,23)14-11(5-6-16(2,3)4)13(19)17(14)12(10)15(20)21/h6,14H,7-8H2,1-4H3,(H,20,21)/p-1/t5?,14-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033690
PNG
(CHEMBL416327 | Sodium; (R)-3-acetoxymethyl-7-(3,3-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
Show InChI InChI=1S/C16H19NO7S/c1-9(18)24-7-10-8-25(22,23)14-11(5-6-16(2,3)4)13(19)17(14)12(10)15(20)21/h6,14H,7-8H2,1-4H3,(H,20,21)/p-1/t5?,14-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		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 800n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
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 943n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033682
PNG
(CHEMBL267745 | Sodium; (R)-3-acetoxymethyl-8-oxo-7...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O5S/c1-9(19)23-7-10-8-24-15-12(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>2.00E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033696
PNG
(CHEMBL269308 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C16H19NO7S/c1-8(18)23-6-9-7-25-14-10(5-11(19)24-16(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 2.50E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
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 4.00E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
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 5.90E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033693
PNG
(CHEMBL268860 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO7S/c1-10(19)25-8-12-9-26(23,24)16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7-/t16-/m1/s1
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n/an/a 6.25E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033693
PNG
(CHEMBL268860 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO7S/c1-10(19)25-8-12-9-26(23,24)16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7-/t16-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
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 7.80E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033700
PNG
(CHEMBL8307 | Sodium; (R)-3-acetoxymethyl-8-oxo-7-[...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C12H11NO6S/c1-6(15)19-4-7-5-20-11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2-3,11H,4-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033689
PNG
(CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033700
PNG
(CHEMBL8307 | Sodium; (R)-3-acetoxymethyl-8-oxo-7-[...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C12H11NO6S/c1-6(15)19-4-7-5-20-11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2-3,11H,4-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033686
PNG
(CHEMBL7995 | Sodium; (R)-3-acetoxymethyl-7-dibromo...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Br2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033692
PNG
(CHEMBL8371 | Sodium; (R)-3-acetoxymethyl-7-[1-brom...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO5S/c1-5(14)18-3-6-4-19-10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Escherichia coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033694
PNG
(CHEMBL266689 | Sodium; (R)-3-acetoxymethyl-7-[2,2-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C15H19NO7S/c1-8(17)23-6-9-7-24(21,22)13-10(5-15(2,3)4)12(18)16(13)11(9)14(19)20/h5,13H,6-7H2,1-4H3,(H,19,20)/p-1/b10-5-/t13-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033690
PNG
(CHEMBL416327 | Sodium; (R)-3-acetoxymethyl-7-(3,3-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
Show InChI InChI=1S/C16H19NO7S/c1-9(18)24-7-10-8-25(22,23)14-11(5-6-16(2,3)4)13(19)17(14)12(10)15(20)21/h6,14H,7-8H2,1-4H3,(H,20,21)/p-1/t5?,14-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033698
PNG
(CHEMBL273744 | Sodium; (R)-3-acetoxymethyl-7-[2-hy...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C12H13NO8S/c1-6(15)21-4-7-5-22(19,20)11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2,11,14H,3-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033686
PNG
(CHEMBL7995 | Sodium; (R)-3-acetoxymethyl-7-dibromo...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Br2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033697
PNG
(CHEMBL8571 | Sodium; (R)-3-acetoxymethyl-8-oxo-7-[...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
Show InChI InChI=1S/C13H13NO6S/c1-6(15)3-9-11(17)14-10(13(18)19)8(4-20-7(2)16)5-21-12(9)14/h3,12H,4-5H2,1-2H3,(H,18,19)/p-1/t12-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033695
PNG
(CHEMBL8343 | Sodium; (R)-3-acetoxymethyl-7-[2,2-di...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C15H19NO5S/c1-8(17)21-6-9-7-22-13-10(5-15(2,3)4)12(18)16(13)11(9)14(19)20/h5,13H,6-7H2,1-4H3,(H,19,20)/p-1/b10-5-/t13-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033695
PNG
(CHEMBL8343 | Sodium; (R)-3-acetoxymethyl-7-[2,2-di...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C15H19NO5S/c1-8(17)21-6-9-7-22-13-10(5-15(2,3)4)12(18)16(13)11(9)14(19)20/h5,13H,6-7H2,1-4H3,(H,19,20)/p-1/b10-5-/t13-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033681
PNG
(CHEMBL268631 | Sodium; (R)-3-acetoxymethyl-8-oxo-7...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO5S/c1-10(19)23-8-12-9-24-16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7-/t16-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033695
PNG
(CHEMBL8343 | Sodium; (R)-3-acetoxymethyl-7-[2,2-di...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C15H19NO5S/c1-8(17)21-6-9-7-22-13-10(5-15(2,3)4)12(18)16(13)11(9)14(19)20/h5,13H,6-7H2,1-4H3,(H,19,20)/p-1/b10-5-/t13-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033691
PNG
(CHEMBL7597 | Sodium; (R)-3-acetoxymethyl-7-dibromo...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Br2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033686
PNG
(CHEMBL7995 | Sodium; (R)-3-acetoxymethyl-7-dibromo...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Br2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033683
PNG
(CHEMBL8353 | Sodium; (R)-3-acetoxymethyl-7-[1-(met...)
Show SMILES CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
Show InChI InChI=1S/C14H16N2O7S/c1-7(17)23-5-8-6-24-13-9(4-10(18)15(2)22-3)12(19)16(13)11(8)14(20)21/h4,13H,5-6H2,1-3H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033696
PNG
(CHEMBL269308 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C16H19NO7S/c1-8(18)23-6-9-7-25-14-10(5-11(19)24-16(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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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033684
PNG
(CHEMBL269657 | Sodium; (R)-3-acetoxymethyl-7-[1-br...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO7S/c1-5(14)20-3-6-4-21(18,19)10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033685
PNG
(CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033693
PNG
(CHEMBL268860 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO7S/c1-10(19)25-8-12-9-26(23,24)16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7-/t16-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033696
PNG
(CHEMBL269308 | Sodium; (R)-3-acetoxymethyl-7-[1-te...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C16H19NO7S/c1-8(18)23-6-9-7-25-14-10(5-11(19)24-16(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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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033697
PNG
(CHEMBL8571 | Sodium; (R)-3-acetoxymethyl-8-oxo-7-[...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
Show InChI InChI=1S/C13H13NO6S/c1-6(15)3-9-11(17)14-10(13(18)19)8(4-20-7(2)16)5-21-12(9)14/h3,12H,4-5H2,1-2H3,(H,18,19)/p-1/t12-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033682
PNG
(CHEMBL267745 | Sodium; (R)-3-acetoxymethyl-8-oxo-7...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O5S/c1-9(19)23-7-10-8-24-15-12(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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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033691
PNG
(CHEMBL7597 | Sodium; (R)-3-acetoxymethyl-7-dibromo...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Br2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033681
PNG
(CHEMBL268631 | Sodium; (R)-3-acetoxymethyl-8-oxo-7...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO5S/c1-10(19)23-8-12-9-24-16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7-/t16-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033687
PNG
(CHEMBL8259 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033699
PNG
(CHEMBL8511 | Sodium; (R)-3-acetoxymethyl-5,5,8-tri...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO7S/c1-10(19)25-8-12-9-26(23,24)16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7+/t16-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033682
PNG
(CHEMBL267745 | Sodium; (R)-3-acetoxymethyl-8-oxo-7...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C16H14N2O5S/c1-9(19)23-7-10-8-24-15-12(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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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033692
PNG
(CHEMBL8371 | Sodium; (R)-3-acetoxymethyl-7-[1-brom...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO5S/c1-5(14)18-3-6-4-19-10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033697
PNG
(CHEMBL8571 | Sodium; (R)-3-acetoxymethyl-8-oxo-7-[...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
Show InChI InChI=1S/C13H13NO6S/c1-6(15)3-9-11(17)14-10(13(18)19)8(4-20-7(2)16)5-21-12(9)14/h3,12H,4-5H2,1-2H3,(H,18,19)/p-1/t12-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033681
PNG
(CHEMBL268631 | Sodium; (R)-3-acetoxymethyl-8-oxo-7...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO5S/c1-10(19)23-8-12-9-24-16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7-/t16-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033698
PNG
(CHEMBL273744 | Sodium; (R)-3-acetoxymethyl-7-[2-hy...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C12H13NO8S/c1-6(15)21-4-7-5-22(19,20)11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2,11,14H,3-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033691
PNG
(CHEMBL7597 | Sodium; (R)-3-acetoxymethyl-7-dibromo...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Br2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033694
PNG
(CHEMBL266689 | Sodium; (R)-3-acetoxymethyl-7-[2,2-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C15H19NO7S/c1-8(17)23-6-9-7-24(21,22)13-10(5-15(2,3)4)12(18)16(13)11(9)14(19)20/h5,13H,6-7H2,1-4H3,(H,19,20)/p-1/b10-5-/t13-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033692
PNG
(CHEMBL8371 | Sodium; (R)-3-acetoxymethyl-7-[1-brom...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO5S/c1-5(14)18-3-6-4-19-10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033698
PNG
(CHEMBL273744 | Sodium; (R)-3-acetoxymethyl-7-[2-hy...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C12H13NO8S/c1-6(15)21-4-7-5-22(19,20)11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2,11,14H,3-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033683
PNG
(CHEMBL8353 | Sodium; (R)-3-acetoxymethyl-7-[1-(met...)
Show SMILES CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
Show InChI InChI=1S/C14H16N2O7S/c1-7(17)23-5-8-6-24-13-9(4-10(18)15(2)22-3)12(19)16(13)11(8)14(20)21/h4,13H,5-6H2,1-3H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033684
PNG
(CHEMBL269657 | Sodium; (R)-3-acetoxymethyl-7-[1-br...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO7S/c1-5(14)20-3-6-4-21(18,19)10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033687
PNG
(CHEMBL8259 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033684
PNG
(CHEMBL269657 | Sodium; (R)-3-acetoxymethyl-7-[1-br...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C11H10BrNO7S/c1-5(14)20-3-6-4-21(18,19)10-7(2-12)9(15)13(10)8(6)11(16)17/h2,10H,3-4H2,1H3,(H,16,17)/p-1/b7-2+/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033689
PNG
(CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033683
PNG
(CHEMBL8353 | Sodium; (R)-3-acetoxymethyl-7-[1-(met...)
Show SMILES CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
Show InChI InChI=1S/C14H16N2O7S/c1-7(17)23-5-8-6-24-13-9(4-10(18)15(2)22-3)12(19)16(13)11(8)14(20)21/h4,13H,5-6H2,1-3H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033699
PNG
(CHEMBL8511 | Sodium; (R)-3-acetoxymethyl-5,5,8-tri...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO7S/c1-10(19)25-8-12-9-26(23,24)16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7+/t16-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033687
PNG
(CHEMBL8259 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO5S/c1-4(15)19-2-5-3-20-10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033694
PNG
(CHEMBL266689 | Sodium; (R)-3-acetoxymethyl-7-[2,2-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C15H19NO7S/c1-8(17)23-6-9-7-24(21,22)13-10(5-15(2,3)4)12(18)16(13)11(9)14(19)20/h5,13H,6-7H2,1-4H3,(H,19,20)/p-1/b10-5-/t13-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)		BDBM50033700
PNG
(CHEMBL8307 | Sodium; (R)-3-acetoxymethyl-8-oxo-7-[...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
Show InChI InChI=1S/C12H11NO6S/c1-6(15)19-4-7-5-20-11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2-3,11H,4-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033699
PNG
(CHEMBL8511 | Sodium; (R)-3-acetoxymethyl-5,5,8-tri...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Show InChI InChI=1S/C17H15NO7S/c1-10(19)25-8-12-9-26(23,24)16-13(7-11-5-3-2-4-6-11)15(20)18(16)14(12)17(21)22/h2-7,16H,8-9H2,1H3,(H,21,22)/p-1/b13-7+/t16-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50033689
PNG
(CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368

J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%