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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitochondrial peptide methionine sulfoxide reductase' and Ligand = 'BDBM70781'   
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
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM70781
PNG
(9,10-bis(oxidanylidene)-N-phenyl-anthracene-2-sulf...)
Show SMILES O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H13NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h1-12,21H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.55E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM70781
PNG
(9,10-bis(oxidanylidene)-N-phenyl-anthracene-2-sulf...)
Show SMILES O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H13NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h1-12,21H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair