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Compile Data Set for Download or QSAR

Found 132 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 3'   
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
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028339
PNG
(6-(3-Chloromethyl-4-methyl-phenylamino)-1H-pyrimid...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CCl
Show InChI InChI=1S/C12H12ClN3O2/c1-7-2-3-9(4-8(7)6-13)14-10-5-11(17)16-12(18)15-10/h2-5H,6H2,1H3,(H3,14,15,16,17,18)
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50077606
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES CCc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C13H15N3O2/c1-3-9-6-10(5-4-8(9)2)14-11-7-12(17)16-13(18)15-11/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028339
PNG
(6-(3-Chloromethyl-4-methyl-phenylamino)-1H-pyrimid...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CCl
Show InChI InChI=1S/C12H12ClN3O2/c1-7-2-3-9(4-8(7)6-13)14-10-5-11(17)16-12(18)15-10/h2-5H,6H2,1H3,(H3,14,15,16,17,18)
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028339
PNG
(6-(3-Chloromethyl-4-methyl-phenylamino)-1H-pyrimid...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CCl
Show InChI InChI=1S/C12H12ClN3O2/c1-7-2-3-9(4-8(7)6-13)14-10-5-11(17)16-12(18)15-10/h2-5H,6H2,1H3,(H3,14,15,16,17,18)
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028359
PNG
(6-(3-Iodo-4-methyl-phenylamino)-1H-pyrimidine-2,4-...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1I
Show InChI InChI=1S/C11H10IN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028342
PNG
(6-(3,4-Dichloro-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Clc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028359
PNG
(6-(3-Iodo-4-methyl-phenylamino)-1H-pyrimidine-2,4-...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1I
Show InChI InChI=1S/C11H10IN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028359
PNG
(6-(3-Iodo-4-methyl-phenylamino)-1H-pyrimidine-2,4-...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1I
Show InChI InChI=1S/C11H10IN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022163
PNG
(6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione | CHEM...)
Show SMILES O=c1cc(Nc2ccc3CCCc3c2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dGTP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022163
PNG
(6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione | CHEM...)
Show SMILES O=c1cc(Nc2ccc3CCCc3c2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
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420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022163
PNG
(6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione | CHEM...)
Show SMILES O=c1cc(Nc2ccc3CCCc3c2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
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420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028341
PNG
(6-(3-Chloro-4-methyl-phenylamino)-1H-pyrimidine-2,...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H10ClN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028341
PNG
(6-(3-Chloro-4-methyl-phenylamino)-1H-pyrimidine-2,...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H10ClN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028341
PNG
(6-(3-Chloro-4-methyl-phenylamino)-1H-pyrimidine-2,...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C11H10ClN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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839n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028327
PNG
(6-(4-Bromo-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1Br
Show InChI InChI=1S/C11H10BrN3O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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849n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028350
PNG
(6-(3,4-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
Show InChI InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
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920n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028350
PNG
(6-(3,4-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
Show InChI InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
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920n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028342
PNG
(6-(3,4-Dichloro-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Clc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
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929n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028342
PNG
(6-(3,4-Dichloro-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Clc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
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930n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028327
PNG
(6-(4-Bromo-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1Br
Show InChI InChI=1S/C11H10BrN3O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028327
PNG
(6-(4-Bromo-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1Br
Show InChI InChI=1S/C11H10BrN3O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50077606
PNG
(6-(3-Ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES CCc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C13H15N3O2/c1-3-9-6-10(5-4-8(9)2)14-11-7-12(17)16-13(18)15-11/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022163
PNG
(6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione | CHEM...)
Show SMILES O=c1cc(Nc2ccc3CCCc3c2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
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1.95E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022167
PNG
(2-Amino-6-(indan-5-ylamino)-3H-pyrimidin-4-one | C...)
Show SMILES Nc1nc(Nc2ccc3CCCc3c2)cc(=O)[nH]1
Show InChI InChI=1S/C13H14N4O/c14-13-16-11(7-12(18)17-13)15-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H4,14,15,16,17,18)
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dATP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028320
PNG
(6-(3-Ethyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H13N3O2/c1-2-8-4-3-5-9(6-8)13-10-7-11(16)15-12(17)14-10/h3-7H,2H2,1H3,(H3,13,14,15,16,17)
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2.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028320
PNG
(6-(3-Ethyl-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H13N3O2/c1-2-8-4-3-5-9(6-8)13-10-7-11(16)15-12(17)14-10/h3-7H,2H2,1H3,(H3,13,14,15,16,17)
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2.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028350
PNG
(6-(3,4-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
Show InChI InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028349
PNG
(6-(4-Bromo-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES Brc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50405107
PNG
(CHEMBL54371)
Show SMILES CCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
Show InChI InChI=1S/C13H15N3O2/c1-3-9-4-5-10(6-8(9)2)14-11-7-12(17)16-13(18)15-11/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
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4.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028331
PNG
(6-(3-Iodo-phenylamino)-1H-pyrimidine-2,4-dione | C...)
Show SMILES Ic1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C10H8IN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
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4.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028331
PNG
(6-(3-Iodo-phenylamino)-1H-pyrimidine-2,4-dione | C...)
Show SMILES Ic1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C10H8IN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
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4.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028332
PNG
(6-(3-Chloromethyl-phenylamino)-1H-pyrimidine-2,4-d...)
Show SMILES ClCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H10ClN3O2/c12-6-7-2-1-3-8(4-7)13-9-5-10(16)15-11(17)14-9/h1-5H,6H2,(H3,13,14,15,16,17)
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028361
PNG
(6-(Naphthalen-2-ylamino)-1H-pyrimidine-2,4-dione |...)
Show SMILES O=c1cc(Nc2ccc3ccccc3c2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C14H11N3O2/c18-13-8-12(16-14(19)17-13)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,15,16,17,18,19)
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6.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022154
PNG
(6-Benzylamino-1H-pyrimidine-2,4-dione | CHEMBL8648...)
Show SMILES O=c1cc(NCc2ccccc2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C11H11N3O2/c15-10-6-9(13-11(16)14-10)12-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14,15,16)
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7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dGTP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028332
PNG
(6-(3-Chloromethyl-phenylamino)-1H-pyrimidine-2,4-d...)
Show SMILES ClCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H10ClN3O2/c12-6-7-2-1-3-8(4-7)13-9-5-10(16)15-11(17)14-9/h1-5H,6H2,(H3,13,14,15,16,17)
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7.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028332
PNG
(6-(3-Chloromethyl-phenylamino)-1H-pyrimidine-2,4-d...)
Show SMILES ClCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H10ClN3O2/c12-6-7-2-1-3-8(4-7)13-9-5-10(16)15-11(17)14-9/h1-5H,6H2,(H3,13,14,15,16,17)
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7.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022155
PNG
(6-Benzylamino-5-iodo-1H-pyrimidine-2,4-dione | CHE...)
Show SMILES Ic1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10IN3O2/c12-8-9(14-11(17)15-10(8)16)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17)
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022146
PNG
(6-Benzylamino-5-bromo-1H-pyrimidine-2,4-dione | CH...)
Show SMILES Brc1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10BrN3O2/c12-8-9(14-11(17)15-10(8)16)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17)
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028343
PNG
(6-(3-Bromo-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES Brc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C10H8BrN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
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1.03E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028343
PNG
(6-(3-Bromo-phenylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES Brc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C10H8BrN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
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1.03E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028360
PNG
(6-(4-Trifluoromethyl-phenylamino)-1H-pyrimidine-2,...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H8F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)15-8-5-9(18)17-10(19)16-8/h1-5H,(H3,15,16,17,18,19)
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1.13E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50405108
PNG
(CHEMBL54632)
Show SMILES CCCc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
Show InChI InChI=1S/C14H17N3O2/c1-3-4-10-5-6-11(7-9(10)2)15-12-8-13(18)17-14(19)16-12/h5-8H,3-4H2,1-2H3,(H3,15,16,17,18,19)
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1.38E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022142
PNG
(5-Bromo-6-p-tolylamino-1H-pyrimidine-2,4-dione | C...)
Show SMILES Cc1ccc(Nc2[nH]c(=O)[nH]c(=O)c2Br)cc1
Show InChI InChI=1S/C11H10BrN3O2/c1-6-2-4-7(5-3-6)13-9-8(12)10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
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1.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50028338
PNG
(6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione |...)
Show SMILES Clc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
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1.41E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50405104
PNG
(CHEMBL54814)
Show SMILES CCCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C13H15N3O2/c1-2-4-9-5-3-6-10(7-9)14-11-8-12(17)16-13(18)15-11/h3,5-8H,2,4H2,1H3,(H3,14,15,16,17,18)
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1.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50405104
PNG
(CHEMBL54814)
Show SMILES CCCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C13H15N3O2/c1-2-4-9-5-3-6-10(7-9)14-11-8-12(17)16-13(18)15-11/h3,5-8H,2,4H2,1H3,(H3,14,15,16,17,18)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022150
PNG
(CHEMBL158113 | N*4*-Benzyl-6-chloro-pyrimidine-2,4...)
Show SMILES Nc1nc(Cl)cc(NCc2ccccc2)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-6-10(16-11(13)15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Bacillus subtilis DNA topoisomerase III using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022161
PNG
(6-p-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL573...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dATP using DNA Polymerase assay


J Med Chem 29: 676-81 (1986)


BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022161
PNG
(6-p-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL573...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
1.75E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


J Med Chem 27: 181-5 (1984)


BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase 3


(Bacillus subtilis)
BDBM50022161
PNG
(6-p-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL573...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.75E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA topoisomerase III (wild type)


J Med Chem 23: 34-8 (1980)


BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
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