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12 similar compounds to monomer 50028339

Compile data set for download or QSAR
Wt: 231.2
BDBM45540
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Wt: 217.2
BDBM50022161
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Wt: 217.2
BDBM50028345
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Wt: 231.2
BDBM50028347
Wt: 231.2
BDBM50028350
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Wt: 231.2
BDBM50028352
Wt: 232.2
BDBM50028354
Wt: 247.2
BDBM50028357
Wt: 231.2
BDBM50028320
Wt: 251.6
BDBM50028332
Wt: 245.2
BDBM50077606
Wt: 245.2
BDBM50405107

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 45540,50022161,50028345,50028347,50028350,50028352,50028354,50028357,50028320,50028332,50077606,50405107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(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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310n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(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
In vitro inhibition of Bacillus subtilis DNA Polymerase III/azp-12(mutant).


J Med Chem 23: 34-8 (1980)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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)


Article DOI: 10.1021/jm00155a016
BindingDB Entry DOI: 10.7270/Q2MP528D
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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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1.75E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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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1.75E+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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(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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1.86E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Bacillus subtilis DNA Polymerase III/azp-12(mutant).


J Med Chem 23: 34-8 (1980)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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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1.86E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028354
PNG
(6-(4-Amino-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1N
Show InChI InChI=1S/C11H12N4O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,12H2,1H3,(H3,13,14,15,16,17)
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1.90E+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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028354
PNG
(6-(4-Amino-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1N
Show InChI InChI=1S/C11H12N4O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,12H2,1H3,(H3,13,14,15,16,17)
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1.90E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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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1.90E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028345
PNG
(6-m-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL520...)
Show SMILES Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
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4.28E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028345
PNG
(6-m-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL520...)
Show SMILES Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
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4.28E+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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(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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6.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Bacillus subtilis DNA Polymerase III/azp-12(mutant).


J Med Chem 23: 34-8 (1980)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(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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6.90E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028357
PNG
(6-(3-Hydroxymethyl-4-methyl-phenylamino)-1H-pyrimi...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CO
Show InChI InChI=1S/C12H13N3O3/c1-7-2-3-9(4-8(7)6-16)13-10-5-11(17)15-12(18)14-10/h2-5,16H,6H2,1H3,(H3,13,14,15,17,18)
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7.85E+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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028357
PNG
(6-(3-Hydroxymethyl-4-methyl-phenylamino)-1H-pyrimi...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CO
Show InChI InChI=1S/C12H13N3O3/c1-7-2-3-9(4-8(7)6-16)13-10-5-11(17)15-12(18)14-10/h2-5,16H,6H2,1H3,(H3,13,14,15,17,18)
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7.85E+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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028347
PNG
(6-(3,5-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1cc(C)cc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H13N3O2/c1-7-3-8(2)5-9(4-7)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
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1.24E+5n/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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50028354
PNG
(6-(4-Amino-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1N
Show InChI InChI=1S/C11H12N4O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,12H2,1H3,(H3,13,14,15,16,17)
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1.58E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against Bacillus subtilis DNA Polymerase III/azp-12(mutant)


J Med Chem 23: 34-8 (1980)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028354
PNG
(6-(4-Amino-3-methyl-phenylamino)-1H-pyrimidine-2,4...)
Show SMILES Cc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)ccc1N
Show InChI InChI=1S/C11H12N4O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,12H2,1H3,(H3,13,14,15,16,17)
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1.58E+5n/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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028345
PNG
(6-m-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL520...)
Show SMILES Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
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1.78E+5n/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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA polymerase IIIC


(Bacillus subtilis)
BDBM50028345
PNG
(6-m-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL520...)
Show SMILES Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
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1.78E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Bacillus subtilis DNA Polymerase III/azp-12(mutant).


J Med Chem 23: 34-8 (1980)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028357
PNG
(6-(3-Hydroxymethyl-4-methyl-phenylamino)-1H-pyrimi...)
Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CO
Show InChI InChI=1S/C12H13N3O3/c1-7-2-3-9(4-8(7)6-16)13-10-5-11(17)15-12(18)14-10/h2-5,16H,6H2,1H3,(H3,13,14,15,17,18)
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2.00E+5n/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)


Article DOI: 10.1021/jm00368a013
BindingDB Entry DOI: 10.7270/Q2Q241FK
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM45540
PNG
(6-(2,3-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C
Show InChI InChI=1S/C12H13N3O2/c1-7-4-3-5-9(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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2.23E+5n/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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(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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>3.15E+5n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA polymerase IIIE


(Escherichia coli)
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)
PDB
MMDB

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>3.23E+5n/an/an/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)


Bioorg Med Chem Lett 15: 729-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.016
BindingDB Entry DOI: 10.7270/Q2125S58
More data for this
Ligand-Target Pair
DNA topoisomerase III


(Bacillus subtilis)
BDBM50028352
PNG
(6-(2,5-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1ccc(C)c(Nc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H13N3O2/c1-7-3-4-8(2)9(5-7)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)
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1.36E+6n/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)


Article DOI: 10.1021/jm00175a007
BindingDB Entry DOI: 10.7270/Q2125RPK
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM45540
PNG
(6-(2,3-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dio...)
Show SMILES Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C
Show InChI InChI=1S/C12H13N3O2/c1-7-4-3-5-9(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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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair