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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Topoisomerase II alpha (HuTopoIIα)' and Ligand = 'BDBM50269149'   
Target
(Institution)
LigandTarget
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 II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50269149
PNG
(3alpha,27-dihydroxylup-20(29)-en-28-oic acid methy...)
Show SMILES COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C
Show InChI InChI=1S/C31H50O4/c1-19(2)20-10-15-30(26(34)35-7)16-17-31(18-32)21(25(20)30)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-29(23,31)6/h20-25,32-33H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24+,25+,28-,29+,30-,31-/m0/s1
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PC cid
PC sid
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Similars

AffyNet 
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2


J Nat Prod 63: 390-2 (2000)

More data for this
Ligand-Target Pair