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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Topoisomerase I subunit B'   
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
Topoisomerase I subunit B


(Leishmania major)
BDBM50392268
PNG
(CHEMBL2153501)
Show SMILES CCCCCCCCCCCC#CC(O)=O
Show InChI InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-11H2,1H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.78E+4n/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...


Bioorg Med Chem Lett 22: 6185-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.019
BindingDB Entry DOI: 10.7270/Q2R49RW0
More data for this
Ligand-Target Pair
Topoisomerase I subunit B


(Leishmania major)
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 670n/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...


Bioorg Med Chem Lett 22: 6185-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.019
BindingDB Entry DOI: 10.7270/Q2R49RW0
More data for this
Ligand-Target Pair
Topoisomerase I subunit B


(Leishmania major)
BDBM50392269
PNG
(CHEMBL2153502)
Show SMILES CCCCCCCCCCCCCCCC#CC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-15H2,1H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...


Bioorg Med Chem Lett 22: 6185-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.019
BindingDB Entry DOI: 10.7270/Q2R49RW0
More data for this
Ligand-Target Pair
Topoisomerase I subunit B


(Leishmania major)
BDBM50329257
PNG
(2-Hexadecynoic acid | CHEMBL1269411)
Show SMILES CCCCCCCCCCCCCCC#CC(O)=O
Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.87E+4n/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...


Bioorg Med Chem Lett 22: 6185-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.019
BindingDB Entry DOI: 10.7270/Q2R49RW0
More data for this
Ligand-Target Pair