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Compile Data Set for Download or QSAR

Found 289 hits Enz. Inhib. hit(s) with Target = 'Bacterial beta-lactamase TEM'   
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-1)


(Escherichia coli)
BDBM50225373
PNG
(CHEMBL396872 | pinacol 5-[(3,4-dichlorophenylamino...)
Show SMILES OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1
Show InChI InChI=1S/C15H12BCl2NO2S/c17-12-3-2-11(7-13(12)18)19-8-9-1-4-14-10(5-9)6-15(22-14)16(20)21/h1-7,19-21H,8H2
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10n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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27n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225393
PNG
(CHEMBL235526 | pinacol 5-[(carboxymethylamino)meth...)
Show SMILES OB(O)c1cc2cc(CNCC(O)=O)ccc2s1
Show InChI InChI=1S/C11H12BNO4S/c14-11(15)6-13-5-7-1-2-9-8(3-7)4-10(18-9)12(16)17/h1-4,13,16-17H,5-6H2,(H,14,15)
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28n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225381
PNG
(CHEMBL235293 | pinacol5-{[4-(1-hydroxy-2,2,2-trifl...)
Show SMILES OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C18H14BF6NO3S/c20-17(21,22)16(27,18(23,24)25)12-2-4-13(5-3-12)26-9-10-1-6-14-11(7-10)8-15(30-14)19(28)29/h1-8,26-29H,9H2
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28n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225376
PNG
(CHEMBL397522 | pinacol 5-bromomethylbenzo[b]thioph...)
Show SMILES OB(O)c1cc2cc(Br)ccc2s1
Show InChI InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
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30n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225371
PNG
(5-methyl-benzo[b]thiophen-2-ylboronic acid | CHEMB...)
Show SMILES Cc1ccc2sc(cc2c1)B(O)O
Show InChI InChI=1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3
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30n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225378
PNG
(CHEMBL235073 | pinacol 5-diformylaminomethylbenzo[...)
Show SMILES OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1
Show InChI InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2
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37n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225379
PNG
(CHEMBL235292 | pinacol 5-[(3-nitrophenylamino)meth...)
Show SMILES OB(O)c1cc2cc(CNc3cccc(c3)[N+]([O-])=O)ccc2s1
Show InChI InChI=1S/C15H13BN2O4S/c19-16(20)15-7-11-6-10(4-5-14(11)23-15)9-17-12-2-1-3-13(8-12)18(21)22/h1-8,17,19-20H,9H2
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37n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225392
PNG
(5-hydroxymethylbenzo[b]thiophen-2-ylboronic acid |...)
Show SMILES OB(O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C8H7BO3S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,10-12H
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43n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225380
PNG
(CHEMBL235308 | pinacol 5-[(phenylamino3-boronicaci...)
Show SMILES OB(O)c1cc2cc(CNc3cccc(c3)B(O)O)ccc2s1
Show InChI InChI=1S/C15H15B2NO4S/c19-16(20)12-2-1-3-13(8-12)18-9-10-4-5-14-11(6-10)7-15(23-14)17(21)22/h1-8,18-22H,9H2
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45n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225383
PNG
(CHEMBL236203 | pinacol 5-phenylsulphanylmethylbenz...)
Show SMILES OB(O)c1cc2cc(CSc3ccccc3)ccc2s1
Show InChI InChI=1S/C15H13BO2S2/c17-16(18)15-9-12-8-11(6-7-14(12)20-15)10-19-13-4-2-1-3-5-13/h1-9,17-18H,10H2
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80n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225389
PNG
(5-imidazol-1-yl-methylbenzo[b]thiophen-2-ylboronic...)
Show SMILES OB(O)c1cc2cc(Cn3ccnc3)ccc2s1
Show InChI InChI=1S/C12H11BN2O2S/c16-13(17)12-6-10-5-9(1-2-11(10)18-12)7-15-4-3-14-8-15/h1-6,8,16-17H,7H2
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82n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225377
PNG
(CHEMBL237390 | pinacol 5-(3,4-dichlorophenoxymethy...)
Show SMILES OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1
Show InChI InChI=1S/C15H11BCl2O3S/c17-12-3-2-11(7-13(12)18)21-8-9-1-4-14-10(5-9)6-15(22-14)16(19)20/h1-7,19-20H,8H2
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83n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225374
PNG
(5 [(1,2,4-triazol-1-ylmethyl]benzo[b]thiophen-2-yl...)
Show SMILES Nn1cn[n+](Cc2ccc3sc(cc3c2)B(O)O)c1
Show InChI InChI=1S/C11H12BN4O2S/c13-15-6-14-16(7-15)5-8-1-2-10-9(3-8)4-11(19-10)12(17)18/h1-4,6-7,17-18H,5,13H2/q+1
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170n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225386
PNG
(CHEMBL396871 | pinacol 5-phenoxymethylbenzo[b]thio...)
Show SMILES OB(O)c1cc2cc(COc3ccccc3)ccc2s1
Show InChI InChI=1S/C15H13BO3S/c17-16(18)15-9-12-8-11(6-7-14(12)20-15)10-19-13-4-2-1-3-5-13/h1-9,17-18H,10H2
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250n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225387
PNG
(CHEMBL396889 | pinacol 5-[(3,4-dimethoxyphenylamin...)
Show SMILES COc1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1OC
Show InChI InChI=1S/C17H18BNO4S/c1-22-14-5-4-13(9-15(14)23-2)19-10-11-3-6-16-12(7-11)8-17(24-16)18(20)21/h3-9,19-21H,10H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225390
PNG
(CHEMBL235523 | pinacol 5-[(4-acetylphenylamino)met...)
Show SMILES CC(=O)c1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1
Show InChI InChI=1S/C17H16BNO3S/c1-11(20)13-3-5-15(6-4-13)19-10-12-2-7-16-14(8-12)9-17(23-16)18(21)22/h2-9,19,21-22H,10H2,1H3
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250n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225375
PNG
(CHEMBL396390 | pinacol 5-aminomethylbenzo[b]thioph...)
Show SMILES Nc1ccc2sc(cc2c1)B(O)O
Show InChI InChI=1S/C8H8BNO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H,10H2
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260n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225384
PNG
(5-formylaminomethylbenzo[b]thiophen-2-ylboronic ac...)
Show SMILES OB(O)c1cc2cc(CNC=O)ccc2s1
Show InChI InChI=1S/C10H10BNO3S/c13-6-12-5-7-1-2-9-8(3-7)4-10(16-9)11(14)15/h1-4,6,14-15H,5H2,(H,12,13)
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450n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225391
PNG
(CHEMBL237181 | pinacol 5-benzyloxymethylbenzo[b]th...)
Show SMILES OB(O)c1cc2cc(COCc3ccccc3)ccc2s1
Show InChI InChI=1S/C16H15BO3S/c18-17(19)16-9-14-8-13(6-7-15(14)21-16)11-20-10-12-4-2-1-3-5-12/h1-9,18-19H,10-11H2
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600n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225385
PNG
(CHEMBL391537 | pinacol 5-[(4-morpholin-4-yl-phenyl...)
Show SMILES OB(O)c1cc2cc(CNc3ccc(cc3)N3CCOCC3)ccc2s1
Show InChI InChI=1S/C19H21BN2O3S/c23-20(24)19-12-15-11-14(1-6-18(15)26-19)13-21-16-2-4-17(5-3-16)22-7-9-25-10-8-22/h1-6,11-12,21,23-24H,7-10,13H2
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800n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
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800n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(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
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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800n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225372
PNG
(CHEMBL235097 | pinacol 5-{[bis(2-hydroxyethyl)amin...)
Show SMILES OCCN(CCO)Cc1ccc2sc(cc2c1)B(O)O
Show InChI InChI=1S/C13H18BNO4S/c16-5-3-15(4-6-17)9-10-1-2-12-11(7-10)8-13(20-12)14(18)19/h1-2,7-8,16-19H,3-6,9H2
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1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225382
PNG
(CHEMBL398112 | pinacol 5-piperazin-1-ylmethylbenzo...)
Show SMILES OB(O)c1cc2cc(CN3CCNCC3)ccc2s1
Show InChI InChI=1S/C13H17BN2O2S/c17-14(18)13-8-11-7-10(1-2-12(11)19-13)9-16-5-3-15-4-6-16/h1-2,7-8,15,17-18H,3-6,9H2
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2.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50225388
PNG
(CHEMBL236759 | thiophene-2-ylboronic acid)
Show SMILES OB(O)C1=CCCS1
Show InChI InChI=1S/C4H7BO2S/c6-5(7)4-2-1-3-8-4/h2,6-7H,1,3H2
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2.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-lactamase


J Med Chem 50: 5644-54 (2007)


Article DOI: 10.1021/jm070643q
BindingDB Entry DOI: 10.7270/Q21N80W5
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM39856
PNG
(Amide and sulfonamide derivatives, 41)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24)
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2.50E+3n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)


Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM39849
PNG
(Amide and sulfonamide derivatives, 33)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H
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7.30E+3n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)


Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022785
PNG
(4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid | CH...)
Show SMILES Cc1ccc(cc1N1CCC1=O)C(O)=O
Show InChI InChI=1S/C11H11NO3/c1-7-2-3-8(11(14)15)6-9(7)12-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
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1.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022788
PNG
((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
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1.39E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022787
PNG
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022790
PNG
(1-Oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]quinoline...)
Show SMILES OC(=O)c1ccc2CCC3CC(=O)N3c2c1
Show InChI InChI=1S/C12H11NO3/c14-11-6-9-4-3-7-1-2-8(12(15)16)5-10(7)13(9)11/h1-2,5,9H,3-4,6H2,(H,15,16)
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2.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022786
PNG
(3-(3-Fluoro-2-oxo-azetidin-1-yl)-4-methyl-benzoic ...)
Show SMILES Cc1ccc(cc1N1CC(F)C1=O)C(O)=O
Show InChI InChI=1S/C11H10FNO3/c1-6-2-3-7(11(15)16)4-9(6)13-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,15,16)
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2.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50067892
PNG
(4-Bromophenyl-boronic acid | 4-bromo phenyl boroni...)
Show SMILES OB(O)c1ccc(Br)cc1
Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
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2.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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2.98E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022789
PNG
(4-Fluoro-1-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]...)
Show SMILES OC(=O)c1ccc2C(F)CC3CC(=O)N3c2c1
Show InChI InChI=1S/C12H10FNO3/c13-9-4-7-5-11(15)14(7)10-3-6(12(16)17)1-2-8(9)10/h1-3,7,9H,4-5H2,(H,16,17)
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3.90E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022794
PNG
(3-(3-Bromo-2-oxo-azetidin-1-yl)-4-methyl-benzoic a...)
Show SMILES Cc1ccc(cc1N1CC(Br)C1=O)C(O)=O
Show InChI InChI=1S/C11H10BrNO3/c1-6-2-3-7(11(15)16)4-9(6)13-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,15,16)
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4.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282562
PNG
(2-(4Chlorophenyl)ethyl boronic acid | Boronic acid...)
Show SMILES OB(O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10BClO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-4,11-12H,5-6H2
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4.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282569
PNG
(2-(4-Trifluoromethylphenyl)ethyl boronic acid | CH...)
Show SMILES OB(O)CCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C9H10BF3O2/c11-9(12,13)8-3-1-7(2-4-8)5-6-10(14)15/h1-4,14-15H,5-6H2
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4.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282563
PNG
(2-(2-Naphthyl)ethyl boronic acid | Boronic acid de...)
Show SMILES OB(O)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C12H13BO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,14-15H,7-8H2
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4.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282561
PNG
(2-(4-Carboxyphenyl)ethyI boronic acid | CHEMBL2112...)
Show SMILES OB(O)CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H11BO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-4,13-14H,5-6H2,(H,11,12)
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4.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022792
PNG
(4-Chloro-1-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]...)
Show SMILES OC(=O)c1ccc2C(Cl)CC3CC(=O)N3c2c1
Show InChI InChI=1S/C12H10ClNO3/c13-9-4-7-5-11(15)14(7)10-3-6(12(16)17)1-2-8(9)10/h1-3,7,9H,4-5H2,(H,16,17)
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5.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282575
PNG
(2-(3-Methoxyphenyl)ethyl boronic acid | CHEMBL2817...)
Show SMILES COc1cccc(CCB(O)O)c1
Show InChI InChI=1S/C9H13BO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7,11-12H,5-6H2,1H3
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282570
PNG
(2-(4-Methylphenyl)ethyl boronic acid | CHEMBL20678)
Show SMILES Cc1ccc(CCB(O)O)cc1
Show InChI InChI=1S/C9H13BO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3
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5.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50115616
PNG
(3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...)
Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
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5.81E+4n/an/an/an/an/an/a7.0n/a



Northwestern University



Assay Description
Inhibition assay against beta lactamase enzymes.


Chem Biol 8: 593-611 (2001)


Article DOI: 10.1016/S1074-5521(01)00034-5
BindingDB Entry DOI: 10.7270/Q27M06BZ
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022795
PNG
(3-(3-Bromo-3-fluoro-2-oxo-azetidin-1-yl)-4-methyl-...)
Show SMILES Cc1ccc(cc1N1CC(F)(Br)C1=O)C(O)=O
Show InChI InChI=1S/C11H9BrFNO3/c1-6-2-3-7(9(15)16)4-8(6)14-5-11(12,13)10(14)17/h2-4H,5H2,1H3,(H,15,16)
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6.00E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50022793
PNG
(3-(3,3-Difluoro-2-oxo-azetidin-1-yl)-4-methyl-benz...)
Show SMILES Cc1ccc(cc1N1CC(F)(F)C1=O)C(O)=O
Show InChI InChI=1S/C11H9F2NO3/c1-6-2-3-7(9(15)16)4-8(6)14-5-11(12,13)10(14)17/h2-4H,5H2,1H3,(H,15,16)
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8.30E+4n/an/an/an/an/an/an/an/a



CNRS-CERCOA

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for TEM-1 beta-lactamase


J Med Chem 31: 370-4 (1988)


Article DOI: 10.1021/jm00397a018
BindingDB Entry DOI: 10.7270/Q21R6PHS
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282571
PNG
(3-Bromophenyl boronic acid | CHEMBL278140)
Show SMILES OB(O)c1cccc(Br)c1
Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
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8.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM50282566
PNG
(2-(3-Methylphenyl)ethyl boronic acid | CHEMBL28160...)
Show SMILES Cc1cccc(CCB(O)O)c1
Show InChI InChI=1S/C9H13BO2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7,11-12H,5-6H2,1H3
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8.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
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