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BDBM50028339 6-(3-Chloromethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione::CHEMBL55032

SMILES: Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1CCl

InChI Key: InChIKey=AEDGAQFEMIRNQS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50028339   
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)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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


(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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


(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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