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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 = 'BDBM50450001'   
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)
BDBM50450001
PNG
(CHEMBL4162794)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C21H13Cl2N3O5S4/c22-17-7-9-19(32-17)34(27,28)25-13-3-1-12(2-4-13)21-24-15-11-14(5-6-16(15)31-21)26-35(29,30)20-10-8-18(23)33-20/h1-11,25-26H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...


J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM50450001
PNG
(CHEMBL4162794)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C21H13Cl2N3O5S4/c22-17-7-9-19(32-17)34(27,28)25-13-3-1-12(2-4-13)21-24-15-11-14(5-6-16(15)31-21)26-35(29,30)20-10-8-18(23)33-20/h1-11,25-26H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mitochondrial HSP60/10-mediated refolding of the denatured malate dehydrogenase


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116129
BindingDB Entry DOI: 10.7270/Q2DF6W19
More data for this
Ligand-Target Pair