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PubMed code 11012024

Compile data set for download or QSAR
Found 44 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


(Enterobacter cloacae)		BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H12N4O5S/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)/t7-,8+,10+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092284
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
Show InChI InChI=1S/C10H6N2O4S2/c13-9-7(18-10(17)11-9)3-1-2-6-4-5-8(16-6)12(14)15/h1-5H,(H,11,13,17)
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n/an/a 450n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092281
PNG
(3-[4-Oxo-2-thioxo-thiazolidin-(5E)-ylidene]-1,3-di...)
Show SMILES SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12 |w:5.4,t:1|
Show InChI InChI=1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,14)(H,13,15,16)
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n/an/a 2.60E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092283
PNG
(5-[(E)-3-(4-Nitro-phenyl)-prop-2-en-(Z)-ylidene]-2...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
Show InChI InChI=1S/C12H8N2O3S2/c15-11-10(19-12(18)13-11)3-1-2-8-4-6-9(7-5-8)14(16)17/h1-7H,(H,13,15,18)
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n/an/a 4.20E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H12N4O5S/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)/t7-,8+,10+/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092286
PNG
(5-[(E)-3-(4-Dimethylamino-phenyl)-prop-2-en-(Z)-yl...)
Show SMILES CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
Show InChI InChI=1S/C14H14N2OS2/c1-16(2)11-8-6-10(7-9-11)4-3-5-12-13(17)15-14(18)19-12/h3-9H,1-2H3,(H,15,17,18)
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n/an/a 8.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092281
PNG
(3-[4-Oxo-2-thioxo-thiazolidin-(5E)-ylidene]-1,3-di...)
Show SMILES SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12 |w:5.4,t:1|
Show InChI InChI=1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,14)(H,13,15,16)
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n/an/a 8.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092279
PNG
(5-[3-Phenyl-prop-(Z)-ylidene]-2-thioxo-thiazolidin...)
Show SMILES Oc1nc(S)sc1C=CCc1ccccc1 |w:8.9|
Show InChI InChI=1S/C12H11NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-6,8,14H,7H2,(H,13,15)
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n/an/a 9.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092279
PNG
(5-[3-Phenyl-prop-(Z)-ylidene]-2-thioxo-thiazolidin...)
Show SMILES Oc1nc(S)sc1C=CCc1ccccc1 |w:8.9|
Show InChI InChI=1S/C12H11NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-6,8,14H,7H2,(H,13,15)
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n/an/a 3.20E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092268
PNG
(5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one |...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H,11,13,16)
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n/an/a 4.30E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092269
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O |w:9.10,7.8,t:1|
Show InChI InChI=1S/C10H6N2O5S/c13-9-7(18-10(14)11-9)3-1-2-6-4-5-8(17-6)12(15)16/h1-5H,(H,11,13,14)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092269
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O |w:9.10,7.8,t:1|
Show InChI InChI=1S/C10H6N2O5S/c13-9-7(18-10(14)11-9)3-1-2-6-4-5-8(17-6)12(15)16/h1-5H,(H,11,13,14)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092282
PNG
(5-[(E)-3-Furan-2-yl-prop-2-en-(Z)-ylidene]-2-thiox...)
Show SMILES SC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:9.10,7.8,t:1|
Show InChI InChI=1S/C10H7NO2S2/c12-9-8(15-10(14)11-9)5-1-3-7-4-2-6-13-7/h1-6H,(H,11,12,14)
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n/an/a 6.20E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092276
PNG
(5-[(E)-3-Phenyl-prop-2-en-(Z)-ylidene]-2-thioxo-th...)
Show SMILES SC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:7.8,9.10,t:1|
Show InChI InChI=1S/C12H9NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)
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n/an/a 7.60E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092275
PNG
(5-[1-(1-Phenyl-1H-[1,2,3]triazol-4-yl)-meth-(Z)-yl...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C12H8N4OS2/c17-11-10(19-12(18)13-11)6-8-7-16(15-14-8)9-4-2-1-3-5-9/h1-7H,(H,13,17,18)
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n/an/a 8.30E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092284
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
Show InChI InChI=1S/C10H6N2O4S2/c13-9-7(18-10(17)11-9)3-1-2-6-4-5-8(16-6)12(14)15/h1-5H,(H,11,13,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092282
PNG
(5-[(E)-3-Furan-2-yl-prop-2-en-(Z)-ylidene]-2-thiox...)
Show SMILES SC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:9.10,7.8,t:1|
Show InChI InChI=1S/C10H7NO2S2/c12-9-8(15-10(14)11-9)5-1-3-7-4-2-6-13-7/h1-6H,(H,11,12,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092283
PNG
(5-[(E)-3-(4-Nitro-phenyl)-prop-2-en-(Z)-ylidene]-2...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
Show InChI InChI=1S/C12H8N2O3S2/c15-11-10(19-12(18)13-11)3-1-2-8-4-6-9(7-5-8)14(16)17/h1-7H,(H,13,15,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092286
PNG
(5-[(E)-3-(4-Dimethylamino-phenyl)-prop-2-en-(Z)-yl...)
Show SMILES CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
Show InChI InChI=1S/C14H14N2OS2/c1-16(2)11-8-6-10(7-9-11)4-3-5-12-13(17)15-14(18)19-12/h3-9H,1-2H3,(H,15,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092288
PNG
(5-[1-Phenyl-meth-(Z)-ylidene]-3-([1,3,4]thiadiazol...)
Show SMILES O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
Show InChI InChI=1S/C13H10N4OS3/c18-11-10(6-9-4-2-1-3-5-9)21-13(19)17(11)7-14-12-16-15-8-20-12/h1-6,8H,7H2,(H,14,16)/b10-6-
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n/an/a 1.38E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092274
PNG
(CHEMBL308010 | N-{2-[4-Oxo-2-thioxo-thiazolidin-(5...)
Show SMILES CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O |w:10.10,c:15|
Show InChI InChI=1S/C12H10N2O2S2/c1-7(15)13-9-5-3-2-4-8(9)6-10-11(16)14-12(17)18-10/h2-6H,1H3,(H,13,15)(H,14,16,17)
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n/an/a 1.90E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092280
PNG
((Z)-5-Benzylidene-3-ethyl-2-thioxothiazolidin-4-on...)
Show SMILES CCN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
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n/an/a 2.40E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092288
PNG
(5-[1-Phenyl-meth-(Z)-ylidene]-3-([1,3,4]thiadiazol...)
Show SMILES O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
Show InChI InChI=1S/C13H10N4OS3/c18-11-10(6-9-4-2-1-3-5-9)21-13(19)17(11)7-14-12-16-15-8-20-12/h1-6,8H,7H2,(H,14,16)/b10-6-
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n/an/a 2.46E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092278
PNG
((Z)-5-(2-Nitrobenzylidene)-2-thioxothiazolidin-4-o...)
Show SMILES [O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H,11,13,16)
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n/an/a 2.90E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092273
PNG
((Z)-5-(2'-Hydroxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|
Show InChI InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
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n/an/a 3.35E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092280
PNG
((Z)-5-Benzylidene-3-ethyl-2-thioxothiazolidin-4-on...)
Show SMILES CCN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
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n/an/a 4.32E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092267
PNG
(5-[1-Phenyl-meth-(Z)-ylidene]-3-[(1H-tetrazol-5-yl...)
Show SMILES O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1 |w:14.16|
Show InChI InChI=1S/C12H10N6OS2/c19-10-9(6-8-4-2-1-3-5-8)21-12(20)18(10)7-13-11-14-16-17-15-11/h1-6H,7H2,(H2,13,14,15,16,17)
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n/an/a 4.35E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092271
PNG
((Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
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n/an/a 4.55E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092285
PNG
(4-[4-Oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N |w:7.8,t:1|
Show InChI InChI=1S/C11H6N2OS2/c12-6-8-3-1-7(2-4-8)5-9-10(14)13-11(15)16-9/h1-5H,(H,13,14,15)
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n/an/a 5.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092270
PNG
(5-[1-(1-Phenyl-1H-imidazol-4-yl)-meth-(Z)-ylidene]...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS2/c17-12-11(19-13(18)15-12)6-9-7-16(8-14-9)10-4-2-1-3-5-10/h1-8H,(H,15,17,18)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092271
PNG
((Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092274
PNG
(CHEMBL308010 | N-{2-[4-Oxo-2-thioxo-thiazolidin-(5...)
Show SMILES CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O |w:10.10,c:15|
Show InChI InChI=1S/C12H10N2O2S2/c1-7(15)13-9-5-3-2-4-8(9)6-10-11(16)14-12(17)18-10/h2-6H,1H3,(H,13,15)(H,14,16,17)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092272
PNG
(2-[4-Oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-...)
Show SMILES OC(=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
Show InChI InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-3-1-2-4-7(6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092273
PNG
((Z)-5-(2'-Hydroxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|
Show InChI InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092272
PNG
(2-[4-Oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-...)
Show SMILES OC(=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
Show InChI InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-3-1-2-4-7(6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092287
PNG
((Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-y...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C12H9NO3S2/c14-10(15)7-13-11(16)9(18-12(13)17)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/b9-6-
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092270
PNG
(5-[1-(1-Phenyl-1H-imidazol-4-yl)-meth-(Z)-ylidene]...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS2/c17-12-11(19-13(18)15-12)6-9-7-16(8-14-9)10-4-2-1-3-5-10/h1-8H,(H,15,17,18)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092267
PNG
(5-[1-Phenyl-meth-(Z)-ylidene]-3-[(1H-tetrazol-5-yl...)
Show SMILES O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1 |w:14.16|
Show InChI InChI=1S/C12H10N6OS2/c19-10-9(6-8-4-2-1-3-5-8)21-12(20)18(10)7-13-11-14-16-17-15-11/h1-6H,7H2,(H2,13,14,15,16,17)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092268
PNG
(5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one |...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H,11,13,16)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092287
PNG
((Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-y...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C12H9NO3S2/c14-10(15)7-13-11(16)9(18-12(13)17)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/b9-6-
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092276
PNG
(5-[(E)-3-Phenyl-prop-2-en-(Z)-ylidene]-2-thioxo-th...)
Show SMILES SC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:7.8,9.10,t:1|
Show InChI InChI=1S/C12H9NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092278
PNG
((Z)-5-(2-Nitrobenzylidene)-2-thioxothiazolidin-4-o...)
Show SMILES [O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H,11,13,16)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092285
PNG
(4-[4-Oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N |w:7.8,t:1|
Show InChI InChI=1S/C11H6N2OS2/c12-6-8-3-1-7(2-4-8)5-9-10(14)13-11(15)16-9/h1-5H,(H,13,14,15)
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n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50092275
PNG
(5-[1-(1-Phenyl-1H-[1,2,3]triazol-4-yl)-meth-(Z)-yl...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C12H8N4OS2/c17-11-10(19-12(18)13-11)6-8-7-16(15-14-8)9-4-2-1-3-5-9/h1-7H,(H,13,17,18)
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UniChem
PubMed
n/an/a>7.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli

Bioorg Med Chem Lett 10: 2179-82 (2001)


BindingDB Entry DOI: 10.7270/Q2T15456
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%