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PDB code 3K99

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock Protein 90 (Hsp90)

  (193/209 = 92%)
(Homo sapiens (Human))
BDBM227591
PNG
(PA7)
Show SMILES Oc1ccc(C(=O)N2Cc3ccccc3C2)c(O)c1
Show InChI InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
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GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 in human H1299 cells after 24 hrs by Akt luminex assay


Bioorg Med Chem Lett 18: 6273-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.081
BindingDB Entry DOI: 10.7270/Q29C717D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat-shock protein 90 (Hsp90)

  (217/217 = 100%)
(Homo sapiens (Human))
BDBM227591
PNG
(PA7)
Show SMILES Oc1ccc(C(=O)N2Cc3ccccc3C2)c(O)c1
Show InChI InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 27.3n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
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