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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat Shock Protein 90 (Hsp90)' and Ligand = 'BDBM50184279'   
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 90 (Hsp90)


(Homo sapiens (Human))
BDBM50184279
PNG
(1-benzyl-3-(4-morpholinophenylamino)pyrrolidine-2,...)
Show SMILES O=C1CC(Nc2ccc(cc2)N2CCOCC2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C21H23N3O3/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h1-9,19,22H,10-15H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 by recombinant ATPase assay


Bioorg Med Chem Lett 16: 3005-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.063
BindingDB Entry DOI: 10.7270/Q2W37VXT
More data for this
Ligand-Target Pair