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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with Target = 'Bacterial dihydropteroate synthase' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405369
PNG
(CHEMBL158543)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1
Show InChI InChI=1S/C20H22N6O5S/c1-13-3-9-16(10-4-13)32(29,30)26-14-5-7-15(8-6-14)31-12-2-11-22-18-17(25-28)19(27)24-20(21)23-18/h3-10,26H,2,11-12H2,1H3,(H4,21,22,23,24,27)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405365
PNG
(CHEMBL159139)
Show SMILES COc1cc(OC)cc(OCCCNc2nc(N)[nH]c(=O)c2N=O)c1
Show InChI InChI=1S/C15H19N5O5/c1-23-9-6-10(24-2)8-11(7-9)25-5-3-4-17-13-12(20-22)14(21)19-15(16)18-13/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19,21)
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405373
PNG
(CHEMBL159048)
Show SMILES Nc1nc(NCCCOc2ccc(cc2)[N+]([O-])=O)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H14N6O5/c14-13-16-11(10(18-21)12(20)17-13)15-6-1-7-24-9-4-2-8(3-5-9)19(22)23/h2-5H,1,6-7H2,(H4,14,15,16,17,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405362
PNG
(CHEMBL422884)
Show SMILES Nc1nc(NCCCOc2ccc(Cl)cc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H14ClN5O3/c14-8-2-4-9(5-3-8)22-7-1-6-16-11-10(19-21)12(20)18-13(15)17-11/h2-5H,1,6-7H2,(H4,15,16,17,18,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405364
PNG
(CHEMBL351250)
Show SMILES Nc1nc(NCCCOc2cc(Cl)cc(Cl)c2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H13Cl2N5O3/c14-7-4-8(15)6-9(5-7)23-3-1-2-17-11-10(20-22)12(21)19-13(16)18-11/h4-6H,1-3H2,(H4,16,17,18,19,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405210
PNG
(CHEMBL442357)
Show SMILES Nc1nc(NCCCCCCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C17H23N5O2/c18-17-20-15(14(22-24)16(23)21-17)19-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H4,18,19,20,21,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of para-aminobenzoic acid to synthase


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405210
PNG
(CHEMBL442357)
Show SMILES Nc1nc(NCCCCCCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C17H23N5O2/c18-17-20-15(14(22-24)16(23)21-17)19-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H4,18,19,20,21,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405361
PNG
(CHEMBL158993)
Show SMILES Nc1nc(NCCCOc2ccc(cc2)C(F)(F)F)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C14H14F3N5O3/c15-14(16,17)8-2-4-9(5-3-8)25-7-1-6-19-11-10(22-24)12(23)21-13(18)20-11/h2-5H,1,6-7H2,(H4,18,19,20,21,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405220
PNG
(CHEMBL55866)
Show SMILES CNc1nc(N)[nH]c(=O)c1N=O
Show InChI InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405359
PNG
(CHEMBL348892)
Show SMILES COc1cc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc(OC)c1OC
Show InChI InChI=1S/C16H21N5O6/c1-24-10-7-9(8-11(25-2)13(10)26-3)27-6-4-5-18-14-12(21-23)15(22)20-16(17)19-14/h7-8H,4-6H2,1-3H3,(H4,17,18,19,20,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405370
PNG
(CHEMBL158793)
Show SMILES CCCCOc1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1
Show InChI InChI=1S/C17H23N5O4/c1-2-3-10-25-12-5-7-13(8-6-12)26-11-4-9-19-15-14(22-24)16(23)21-17(18)20-15/h5-8H,2-4,9-11H2,1H3,(H4,18,19,20,21,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405363
PNG
(CHEMBL160727)
Show SMILES Nc1nc(NCCCOc2ccc(O)cc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H15N5O4/c14-13-16-11(10(18-21)12(20)17-13)15-6-1-7-22-9-4-2-8(19)3-5-9/h2-5,19H,1,6-7H2,(H4,14,15,16,17,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405360
PNG
(CHEMBL351829)
Show SMILES Nc1nc(NCCCCNc2ccc(cc2)C(O)=O)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C15H18N6O4/c16-15-19-12(11(21-25)13(22)20-15)18-8-2-1-7-17-10-5-3-9(4-6-10)14(23)24/h3-6,17H,1-2,7-8H2,(H,23,24)(H4,16,18,19,20,22)
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50027796
PNG
(2-(Sulfanilylamino)thiazole | 2-(p-Aminobenzenesul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405212
PNG
(CHEMBL291953)
Show SMILES Nc1nc(NCCCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C14H17N5O2/c15-14-17-12(11(19-21)13(20)18-14)16-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,15,16,17,18,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405366
PNG
(CHEMBL158792)
Show SMILES CS(=O)(=O)c1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1
Show InChI InChI=1S/C14H17N5O5S/c1-25(22,23)10-5-3-9(4-6-10)24-8-2-7-16-12-11(19-21)13(20)18-14(15)17-12/h3-6H,2,7-8H2,1H3,(H4,15,16,17,18,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM18068
PNG
(2-amino-6-(methylamino)-5-nitropyrimidin-4-ol | CH...)
Show SMILES CNc1nc(N)[nH]c(=O)c1[N+]([O-])=O
Show InChI InChI=1S/C5H7N5O3/c1-7-3-2(10(12)13)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405371
PNG
(CHEMBL159046)
Show SMILES CCOC(=O)c1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1
Show InChI InChI=1S/C16H19N5O5/c1-2-25-15(23)10-4-6-11(7-5-10)26-9-3-8-18-13-12(21-24)14(22)20-16(17)19-13/h4-7H,2-3,8-9H2,1H3,(H4,17,18,19,20,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405372
PNG
(CHEMBL161774)
Show SMILES Nc1nc(NCCCOc2ccc(OCc3ccccc3)cc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O4/c21-20-23-18(17(25-27)19(26)24-20)22-11-4-12-28-15-7-9-16(10-8-15)29-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H4,21,22,23,24,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405357
PNG
(CHEMBL161537)
Show SMILES CCOC(=O)c1ccc(NCCCCNc2nc(N)[nH]c(=O)c2N=O)cc1
Show InChI InChI=1S/C17H22N6O4/c1-2-27-16(25)11-5-7-12(8-6-11)19-9-3-4-10-20-14-13(23-26)15(24)22-17(18)21-14/h5-8,19H,2-4,9-10H2,1H3,(H4,18,20,21,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405227
PNG
(CHEMBL58777)
Show SMILES Nc1nc(NCCCOc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H15N5O3/c14-13-16-11(10(18-20)12(19)17-13)15-7-4-8-21-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,14,15,16,17,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405227
PNG
(CHEMBL58777)
Show SMILES Nc1nc(NCCCOc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H15N5O3/c14-13-16-11(10(18-20)12(19)17-13)15-7-4-8-21-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,14,15,16,17,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405231
PNG
(CHEMBL59151)
Show SMILES Nc1nc(NCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C12H13N5O2/c13-12-15-10(9(17-19)11(18)16-12)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,13,14,15,16,18)
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50378552
PNG
(CHEMBL291324)
Show SMILES Nc1nc(N)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
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n/an/a 5.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405217
PNG
(CHEMBL56233)
Show SMILES Nc1nc(NCCCCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C15H19N5O2/c16-15-18-13(12(20-22)14(21)19-15)17-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H4,16,17,18,19,21)
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n/an/a 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50378553
PNG
(CHEMBL161604)
Show SMILES Nc1nc(NCCCOc2ccc(cc2)C(O)=O)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C14H15N5O5/c15-14-17-11(10(19-23)12(20)18-14)16-6-1-7-24-9-4-2-8(3-5-9)13(21)22/h2-5H,1,6-7H2,(H,21,22)(H4,15,16,17,18,20)
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n/an/a 6.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405367
PNG
(CHEMBL157639)
Show SMILES COc1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1
Show InChI InChI=1S/C14H17N5O4/c1-22-9-3-5-10(6-4-9)23-8-2-7-16-12-11(19-21)13(20)18-14(15)17-12/h3-6H,2,7-8H2,1H3,(H4,15,16,17,18,20)
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n/an/a 7.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405218
PNG
(CHEMBL299333)
Show SMILES Nc1nc(NCCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H15N5O2/c14-13-16-11(10(18-20)12(19)17-13)15-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,14,15,16,17,19)
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n/an/a 7.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405358
PNG
(CHEMBL161603)
Show SMILES Nc1nc(NCCCNc2ccc(cc2)C(O)=O)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C14H16N6O4/c15-14-18-11(10(20-24)12(21)19-14)17-7-1-6-16-9-4-2-8(3-5-9)13(22)23/h2-5,16H,1,6-7H2,(H,22,23)(H4,15,17,18,19,21)
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n/an/a 8.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405219
PNG
(CHEMBL291509)
Show SMILES Nc1nc(NCCCCCCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C16H21N5O2/c17-16-19-14(13(21-23)15(22)20-16)18-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H4,17,18,19,20,22)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405222
PNG
(CHEMBL55865)
Show SMILES CCNc1nc(N)[nH]c(=O)c1N=O
Show InChI InChI=1S/C6H9N5O2/c1-2-8-4-3(11-13)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405215
PNG
(CHEMBL55589)
Show SMILES Nc1nc(NCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C11H11N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,12,13,14,15,17)
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n/an/a 1.29E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405223
PNG
(CHEMBL56063)
Show SMILES Nc1nc(NCCCS(=O)(=O)c2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C13H15N5O4S/c14-13-16-11(10(18-20)12(19)17-13)15-7-4-8-23(21,22)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,14,15,16,17,19)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405368
PNG
(CHEMBL349775)
Show SMILES Nc1nc(NCCCOc2ccccc2OCc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O4/c21-20-23-18(17(25-27)19(26)24-20)22-11-6-12-28-15-9-4-5-10-16(15)29-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H4,21,22,23,24,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%


J Med Chem 29: 665-70 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405224
PNG
(CHEMBL53450)
Show SMILES Nc1nc(NCCCCc2ccccc2)c([N+]([O-])=O)c(=O)[nH]1
Show InChI InChI=1S/C14H17N5O3/c15-14-17-12(11(19(21)22)13(20)18-14)16-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,15,16,17,18,20)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405221
PNG
(CHEMBL55911)
Show SMILES Nc1nc(NCCCO)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C7H11N5O3/c8-7-10-5(9-2-1-3-13)4(12-15)6(14)11-7/h13H,1-3H2,(H4,8,9,10,11,14)
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405226
PNG
(CHEMBL293797)
Show SMILES Nc1nc(Nc2ccccc2)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C10H9N5O2/c11-10-13-8(7(15-17)9(16)14-10)12-6-4-2-1-3-5-6/h1-5H,(H4,11,12,13,14,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405225
PNG
(CHEMBL56302)
Show SMILES Nc1nc(NCCCCc2ccccc2)c(C=O)c(=O)[nH]1
Show InChI InChI=1S/C15H18N4O2/c16-15-18-13(12(10-20)14(21)19-15)17-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H4,16,17,18,19,21)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405228
PNG
(CHEMBL55588)
Show SMILES CNc1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C5H8N4O/c1-7-3-2-4(10)9-5(6)8-3/h2H,1H3,(H4,6,7,8,9,10)
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405216
PNG
(CHEMBL301649)
Show SMILES CCN(CC)c1nc(N)[nH]c(=O)c1N=O
Show InChI InChI=1S/C8H13N5O2/c1-3-13(4-2)6-5(12-15)7(14)11-8(9)10-6/h3-4H2,1-2H3,(H3,9,10,11,14)
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n/an/a 1.97E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405213
PNG
(CHEMBL55165)
Show SMILES Nc1nc(O)c(N=O)c(=O)[nH]1
Show InChI InChI=1S/C4H4N4O3/c5-4-6-2(9)1(8-11)3(10)7-4/h(H4,5,6,7,9,10)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405209
PNG
(CHEMBL55373)
Show SMILES CC(C)Nc1nc(N)[nH]c(=O)c1N=O
Show InChI InChI=1S/C7H11N5O2/c1-3(2)9-5-4(12-14)6(13)11-7(8)10-5/h3H,1-2H3,(H4,8,9,10,11,13)
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n/an/a 2.08E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405229
PNG
(CHEMBL57846)
Show SMILES Nc1nc(NCCCCc2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C15H17N5O/c16-10-12-13(19-15(17)20-14(12)21)18-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H4,17,18,19,20,21)
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n/an/a 2.90E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405214
PNG
(CHEMBL56748)
Show SMILES CNc1nc(N)[nH]c(=O)c1C=O
Show InChI InChI=1S/C6H8N4O2/c1-8-4-3(2-11)5(12)10-6(7)9-4/h2H,1H3,(H4,7,8,9,10,12)
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n/an/a 3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50405230
PNG
(CHEMBL56260)
Show SMILES Nc1nccc(=O)[nH]1
Show InChI InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
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n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031522
PNG
(CHEMBL3233207)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 3.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031523
PNG
(CHEMBL3233201)
Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)
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PubMed
n/an/an/a 3.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031524
PNG
(CHEMBL3233212)
Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)
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PubMed
n/an/an/a 8.20E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031525
PNG
(CHEMBL3233211)
Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
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