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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50107723'   
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
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50107723
PNG
(CHEMBL3600501)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1noc(c1C#C[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#8]-[#6])-c1cc(-[#6](-[#6])-[#6])c(-[#8])cc1-[#8]
Show InChI InChI=1S/C24H30N4O5/c1-5-25-24(31)22-17(7-6-10-28-11-8-16(9-12-28)26-32-4)23(33-27-22)19-13-18(15(2)3)20(29)14-21(19)30/h13-15,29-30H,5,8-12H2,1-4H3,(H,25,31)
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MMDB

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Similars

Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair