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5 similar compounds to monomer 50028327

Compile data set for download or QSAR
Wt: 217.2
BDBM50028345
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Wt: 231.2
BDBM50028347
Wt: 282.0
BDBM50028349
Wt: 231.2
BDBM50028350
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Wt: 232.2
BDBM50028354

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50028345,50028347,50028349,50028350,50028354   
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)
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)
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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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)
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)


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


(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
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)
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)
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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3.16E+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)
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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3.16E+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 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