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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 = 'BDBM50184282'   
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))
BDBM50184282
PNG
(4-methoxy-2-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)phe...)
Show SMILES COc1ccc(O)c(c1)-c1c[nH]nc1-c1cccs1
Show InChI InChI=1S/C14H12N2O2S/c1-18-9-4-5-12(17)10(7-9)11-8-15-16-14(11)13-3-2-6-19-13/h2-8,17H,1H3,(H,15,16)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+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