BDBM54176 1,3-dimethyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione::1,3-dimethyl-5-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione::5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione::5-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone::MLS000102233::SMR000017972::cid_5310392

SMILES CCCc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)c2c(n1)n(C)c(=O)n(C)c2=O

InChI Key InChIKey=AVSSLMKBZWUXBN-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 54176   

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

Curated by PubChem BioAssay
LigandPNGBDBM54176(SMR000017972 | 5-[2-(4-benzylpiperidin-1-yl)-2-oxo...)
Affinity DataIC50: 5.22E+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:
6/5/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54176(SMR000017972 | 5-[2-(4-benzylpiperidin-1-yl)-2-oxo...)
Affinity DataEC50:  5.46E+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:
7/8/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54176(SMR000017972 | 5-[2-(4-benzylpiperidin-1-yl)-2-oxo...)
Affinity DataIC50: 1.22E+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:
7/9/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54176(SMR000017972 | 5-[2-(4-benzylpiperidin-1-yl)-2-oxo...)
Affinity DataIC50: 1.14E+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:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54176(SMR000017972 | 5-[2-(4-benzylpiperidin-1-yl)-2-oxo...)
Affinity DataIC50: 1.10E+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:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54176(SMR000017972 | 5-[2-(4-benzylpiperidin-1-yl)-2-oxo...)
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