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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HSP90 and hnRNPA2/B1' and Ligand = 'BDBM50361724'   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50361724
PNG
(CHEMBL1941073)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2cc[nH]c2c1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C24H24N4O5/c1-4-25-24(32)21-20(27-23(31)14-6-5-13-7-8-26-17(13)9-14)22(33-28-21)16-10-15(12(2)3)18(29)11-19(16)30/h5-12,26,29-30H,4H2,1-3H3,(H,25,32)(H,27,31)
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MMDB

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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay


J Med Chem 54: 8592-604 (2011)


Article DOI: 10.1021/jm201155e
BindingDB Entry DOI: 10.7270/Q2QF8T9M
More data for this
Ligand-Target Pair