BDBM54172 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylthio)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone::2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone::2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone::2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylthio)-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone::2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylthio)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone::MLS000097067::SMR000075726::cid_2951204

SMILES COCCn1c(C)cc(C(=O)CSc2ncnc3sc4CCCc4c23)c1C

InChI Key InChIKey=FSDJLUHHZDYXOW-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 54172   

TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54172(SMR000075726 | 2-(7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 1.86E+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:
6/5/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54172(SMR000075726 | 2-(7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataEC50:  1.07E+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
LigandPNGBDBM54172(SMR000075726 | 2-(7,8-dihydro-6H-cyclopenta[2,3]th...)
Affinity DataIC50: 1.50E+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