BDBM49106 7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione::7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione::7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylthio)xanthine::MLS000100710::SMR000015484::cid_5310346

SMILES C\C=C\Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=MGHRGGHCCMMDND-ONEGZZNKSA-N

Data  21 IC50  2 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 23 hits for monomerid = 49106   

TargetD(1A) dopamine receptor(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataEC50:  0.00868nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.27E+4nMAssay Description:Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataEC50:  6.37E+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 DepthDetails PCBioAssay
TargetInterleukin-8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  3.43E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.81E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.69E+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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  6.27E+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 DepthDetails PCBioAssay
TargetG-protein coupled receptor 35(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  986nMAssay 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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  4.18E+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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  8.49E+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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  9.14E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetG-protein coupled receptor 35(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.44E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.80E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.36E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.06E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  7.97E+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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.82E+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 DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  9.14E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.54E+3nMAssay Description:Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM49106(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Affinity DataIC50:  1.62E+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 DepthDetails PCBioAssay