BDBM59551 (6E)-2-(ethylsulfonyl)-5-imino-6-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-2-esyl-5-imino-6-[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]benzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-2-ethylsulfonyl-5-imino-6-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-5-azanylidene-2-ethylsulfonyl-6-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::MLS001199663::SMR000560224::cid_24761381

SMILES CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCCOc3cccc(OC)c3)c(OC)c1)C2=N

InChI Key InChIKey=SABLVGCJQFCQSE-UHFFFAOYSA-N

Data  2 IC50  1 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 = 59551   

LigandPNGBDBM59551(SMR000560224 | (6E)-2-(ethylsulfonyl)-5-imino-6-{3...)
Affinity DataIC50: 4.26E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59551(SMR000560224 | (6E)-2-(ethylsulfonyl)-5-imino-6-{3...)
Affinity DataEC50:  2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59551(SMR000560224 | (6E)-2-(ethylsulfonyl)-5-imino-6-{3...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay