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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha/2-beta' and Ligand = 'BDBM50471909'   
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 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471909
PNG
(CHEMBL433875)
Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N(C)C
Show InChI InChI=1S/C31H37NO11/c1-14-37-12-24-30(41-14)19(32(2)3)10-25(42-24)43-29-17-9-21-20(39-13-40-21)8-16(17)26(27-18(29)11-38-31(27)34)15-6-22(35-4)28(33)23(7-15)36-5/h6-9,14,18-19,24-27,29-30,33H,10-13H2,1-5H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II


J Med Chem 41: 4475-85 (1998)


Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471909
PNG
(CHEMBL433875)
Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N(C)C
Show InChI InChI=1S/C31H37NO11/c1-14-37-12-24-30(41-14)19(32(2)3)10-25(42-24)43-29-17-9-21-20(39-13-40-21)8-16(17)26(27-18(29)11-38-31(27)34)15-6-22(35-4)28(33)23(7-15)36-5/h6-9,14,18-19,24-27,29-30,33H,10-13H2,1-5H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II


J Med Chem 41: 4475-85 (1998)


Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB
More data for this
Ligand-Target Pair