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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'chee' and Initial = 'gl'   
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


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 5.60E+4n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast plasmid DNA by fluorescent plate reader


Bioorg Med Chem 18: 830-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.048
BindingDB Entry DOI: 10.7270/Q2KH0P8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50308985
PNG
(CHEMBL592862 | Diazirine)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](NC(=O)c2ccc(cc2)C2(N=N2)C(F)(F)F)c2cc3OCOc3cc12 |r,c:32|
Show InChI InChI=1S/C30H24F3N3O8/c1-40-21-7-14(8-22(41-2)26(21)37)23-16-9-19-20(44-12-43-19)10-17(16)25(18-11-42-28(39)24(18)23)34-27(38)13-3-5-15(6-4-13)29(35-36-29)30(31,32)33/h3-10,18,23-25,37H,11-12H2,1-2H3,(H,34,38)/t18-,23+,24-,25+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



University of Manitoba

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast plasmid DNA by fluorescent plate reader


Bioorg Med Chem 18: 830-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.048
BindingDB Entry DOI: 10.7270/Q2KH0P8X
More data for this
Ligand-Target Pair