BDBM43101 2-[[4-(3-chloranyl-4-methyl-phenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]ethanamide::2-[[4-(3-chloro-4-methyl-phenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide::2-[[4-(3-chloro-4-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide::2-[[4-(3-chloro-4-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide::MLS000389643::SMR000255917::cid_2426866

SMILES CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC

InChI Key InChIKey=LJNCWLORKASOSI-UHFFFAOYSA-N

Data  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 3 hits for monomerid = 43101   

TargetNuclear receptor coactivator 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43101(MLS000389643 | 2-[[4-(3-chloranyl-4-methyl-phenyl)...)
Affinity DataEC50:  5.19E+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:
5/28/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43101(MLS000389643 | 2-[[4-(3-chloranyl-4-methyl-phenyl)...)
Affinity DataEC50: >7.94E+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:
5/20/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43101(MLS000389643 | 2-[[4-(3-chloranyl-4-methyl-phenyl)...)
Affinity DataEC50: >7.94E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay