BDBM36899 1-cyano-2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-3-methyl-isothiourea::MLS000037842::N-cyano-N'-methylcarbamimidothioic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester::SMR000036091::[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate::[2-(2,4-dichlorophenyl)-2-oxoethyl] N-cyano-N'-methylcarbamimidothioate::cid_659589

SMILES CNC(SCC(=O)c1ccc(Cl)cc1Cl)=NC#N

InChI Key InChIKey=ZORWMIDSLLVOOR-UHFFFAOYSA-N

Data  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 36899   

TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36899([2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-c...)
Affinity DataEC50:  4.33E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36899([2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-c...)
Affinity DataEC50: >3.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36899([2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-c...)
Affinity DataEC50:  4.55E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM36899([2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] N-c...)
Affinity DataEC50:  3.19E+3nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay