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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock factor protein 1' and Ligand = 'BDBM72249'   
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 factor protein 1


(Mus musculus)
BDBM72249
PNG
(2-(4-Amino-6,7,8,9-tetrahydro-pyrimido[4,5-b]quino...)
Show SMILES COc1ccc(NC(=O)CSc2nc(N)c3cc4CCCCc4nc3n2)cc1
Show InChI InChI=1S/C20H21N5O2S/c1-27-14-8-6-13(7-9-14)22-17(26)11-28-20-24-18(21)15-10-12-4-2-3-5-16(12)23-19(15)25-20/h6-10H,2-5,11H2,1H3,(H,22,26)(H2,21,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.33E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair