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PDB code 2WI6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (196/213 = 92%)
(Homo sapiens (Human))
BDBM33233
PNG
(thieno[2,3-d]pyrimidine, 21e)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21)
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Article
PubMed
n/an/a 230n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...


J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output