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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase III' and Ligand = 'BDBM50028359'   
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)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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


(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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


(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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