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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 = 'BDBM50361725'   
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))
BDBM50361725
PNG
(CHEMBL1941074)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2ccn(C)c2c1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H26N4O5/c1-5-26-25(33)22-21(27-24(32)15-7-6-14-8-9-29(4)18(14)10-15)23(34-28-22)17-11-16(13(2)3)19(30)12-20(17)31/h6-13,30-31H,5H2,1-4H3,(H,26,33)(H,27,32)
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PC cid
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Article
PubMed
n/an/a 34n/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