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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '60 kDa heat shock protein, mitochondrial' and Ligand = 'BDBM50495818'   
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
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50495818
PNG
(CHEMBL3115927)
Show SMILES CNC(=O)Oc1c(Br)cc2sc(=O)oc2c1Br
Show InChI InChI=1S/C9H5Br2NO4S/c1-12-8(13)15-6-3(10)2-4-7(5(6)11)16-9(14)17-4/h2H,1H3,(H,12,13)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by meas...


Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50495818
PNG
(CHEMBL3115927)
Show SMILES CNC(=O)Oc1c(Br)cc2sc(=O)oc2c1Br
Show InChI InChI=1S/C9H5Br2NO4S/c1-12-8(13)15-6-3(10)2-4-7(5(6)11)16-9(14)17-4/h2H,1H3,(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as reduction in denatured pig heart MDH ATPase activity by...


Bioorg Med Chem Lett 26: 3127-3134 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.089
BindingDB Entry DOI: 10.7270/Q22J6FW2
More data for this
Ligand-Target Pair