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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 = 'BDBM50640'   
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)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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)
BDBM50640
PNG
(2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...)
Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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