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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase III' and Ligand = 'BDBM50077606'   
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 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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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