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BDBM81544 BNS-22

InChI string: InChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3

SMILES: CCCc1cc(=O)oc2c(C(=O)N3CCCc4ccccc34)c(OC)cc(OC)c12

InChI Key: InChIKey=LRPUQCTZOSTSGL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 81544   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM81544
PNG
(BNS-22)
Show SMILES CCCc1cc(=O)oc2c(C(=O)N3CCCc4ccccc34)c(OC)cc(OC)c12
Show InChI InChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3
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Article
PubMed
n/an/a 2.80E+3n/an/an/an/a7.54



RIKEN Advanced Science Institute



Assay Description
In vitro inhibition of TOP2 alpha activity by BNS derivatives.


Chem Biol 18: 743-51 (2011)

More data for this
Ligand-Target Pair