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BDBM79427 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione::2-[(dimethoxyphosphinothioylthio)methyl]isoindole-1,3-dione::2-[(dimethoxythiophosphorylthio)methyl]isoindoline-1,3-quinone::Decemthion::Fosmet::MLS001074294::SMR000054364::cid_12901

SMILES: COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=LMNZTLDVJIUSHT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79427   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
perilipin-5


(Homo sapiens (Human))
BDBM79427
PNG
(2-(dimethoxyphosphinothioylsulfanylmethyl)isoindol...)
Show SMILES COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEBI
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.19E+4n/an/an/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 (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM79427
PNG
(2-(dimethoxyphosphinothioylsulfanylmethyl)isoindol...)
Show SMILES COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.05E+4n/an/an/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 (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair