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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50003350   
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


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
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)/b4-1-/t6-,7-/m1/s1
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n/an/a 7.53E+4n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
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)/b4-1-/t6-,7-/m1/s1
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n/an/a 9.54E+4n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
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)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.45E+5n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
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)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Staphylococcus aureus Russel class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 1.65E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
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)/b4-1-/t6-,7-/m1/s1
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n/an/a 1.75E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50469665
PNG
(CHEMBL30914)
Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
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n/an/a 1.85E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 2.20E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 2.33E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469665
PNG
(CHEMBL30914)
Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
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n/an/a 2.65E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 3.21E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 4.08E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469665
PNG
(CHEMBL30914)
Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
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n/an/a 5.04E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 6.89E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469664
PNG
(3-Decyl-Phenol | CHEMBL33202)
Show SMILES CCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,12-14,17H,2-9,11H2,1H3
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n/an/a 8.10E+6n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469657
PNG
(CHEMBL33995 | SB-202742)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
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n/an/a 1.34E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50469666
PNG
(6-Octylsalicylic Acid | CHEMBL33379)
Show SMILES CCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C15H22O3/c1-2-3-4-5-6-7-9-12-10-8-11-13(16)14(12)15(17)18/h8,10-11,16H,2-7,9H2,1H3,(H,17,18)
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n/an/a 1.55E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50469664
PNG
(3-Decyl-Phenol | CHEMBL33202)
Show SMILES CCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,12-14,17H,2-9,11H2,1H3
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n/an/a 1.74E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469664
PNG
(3-Decyl-Phenol | CHEMBL33202)
Show SMILES CCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,12-14,17H,2-9,11H2,1H3
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n/an/a 1.91E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 2.10E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50469665
PNG
(CHEMBL30914)
Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
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n/an/a 2.20E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50082305
PNG
(3-Pentadecyl-phenol | 3-pentadecyl phenol | 3-pent...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
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n/an/a 2.36E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469665
PNG
(CHEMBL30914)
Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
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n/an/a 2.41E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469656
PNG
(CHEMBL34277)
Show SMILES CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-19(2)15-12-10-8-6-4-3-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)
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n/an/a 2.48E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469656
PNG
(CHEMBL34277)
Show SMILES CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-19(2)15-12-10-8-6-4-3-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)
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n/an/a 2.67E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50469657
PNG
(CHEMBL33995 | SB-202742)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
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n/an/a 2.69E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469658
PNG
(CHEMBL34634)
Show SMILES CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)
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n/an/a 2.75E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 3.03E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469667
PNG
(6-Decylsalicylic Acid | CHEMBL416038)
Show SMILES CCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(18)16(14)17(19)20/h10,12-13,18H,2-9,11H2,1H3,(H,19,20)
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n/an/a 4.31E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469656
PNG
(CHEMBL34277)
Show SMILES CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-19(2)15-12-10-8-6-4-3-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)
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n/an/a 4.41E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469657
PNG
(CHEMBL33995 | SB-202742)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
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n/an/a 4.58E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 6.06E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50469666
PNG
(6-Octylsalicylic Acid | CHEMBL33379)
Show SMILES CCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C15H22O3/c1-2-3-4-5-6-7-9-12-10-8-11-13(16)14(12)15(17)18/h8,10-11,16H,2-7,9H2,1H3,(H,17,18)
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n/an/a 6.39E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50082305
PNG
(3-Pentadecyl-phenol | 3-pentadecyl phenol | 3-pent...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
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n/an/a 6.56E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50469659
PNG
(2-Decyl-Benzoic Acid | CHEMBL284924)
Show SMILES CCCCCCCCCCc1ccccc1C(O)=O
Show InChI InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17(18)19/h10-11,13-14H,2-9,12H2,1H3,(H,18,19)
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n/an/a 6.86E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 7.29E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50469665
PNG
(CHEMBL30914)
Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
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n/an/a 7.70E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469663
PNG
(CHEMBL33019)
Show SMILES CCCCCCCCCCc1cccc(O)c1O
Show InChI InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(17)16(14)18/h10,12-13,17-18H,2-9,11H2,1H3
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n/an/a 8.38E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469658
PNG
(CHEMBL34634)
Show SMILES CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)
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n/an/a 8.55E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50469662
PNG
(CHEBI:59111 | CHEMBL8087)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1O
Show InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3
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n/an/a 9.04E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Proteus mirabilis)
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 9.05E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a>9.10E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469658
PNG
(CHEMBL34634)
Show SMILES CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)
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n/an/a 9.92E+7n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase OXA-1


(Escherichia coli (Enterobacteria))
BDBM50082305
PNG
(3-Pentadecyl-phenol | 3-pentadecyl phenol | 3-pent...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
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n/an/a>1.08E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM50082305
PNG
(3-Pentadecyl-phenol | 3-pentadecyl phenol | 3-pent...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
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n/an/a>1.08E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50082305
PNG
(3-Pentadecyl-phenol | 3-pentadecyl phenol | 3-pent...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
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n/an/a 1.08E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Staphylococcus aureus Russel class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469657
PNG
(CHEMBL33995 | SB-202742)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
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UniChem
Article
n/an/a 1.10E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469663
PNG
(CHEMBL33019)
Show SMILES CCCCCCCCCCc1cccc(O)c1O
Show InChI InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(17)16(14)18/h10,12-13,17-18H,2-9,11H2,1H3
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n/an/a 1.11E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50469661
PNG
(CHEMBL30870)
Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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n/an/a 1.29E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50469664
PNG
(3-Decyl-Phenol | CHEMBL33202)
Show SMILES CCCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,12-14,17H,2-9,11H2,1H3
PDB

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UniChem
Article
n/an/a 1.36E+8n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80506-0
BindingDB Entry DOI: 10.7270/Q21V5HPM
More data for this
Ligand-Target Pair
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