BDBM54154 2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide::2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide::2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide::2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide::2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide::MLS000072635::SMR000002655::cid_646658

SMILES CCCCn1c(SCC(=O)Nc2nnc(s2)C(C)C)nc2n(C)c(=O)n(C)c(=O)c12

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 54154   

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

Curated by PubChem BioAssay
LigandPNGBDBM54154(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Affinity DataIC50:  9.58E+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
LigandPNGBDBM54154(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Affinity DataEC50:  7.02E+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
LigandPNGBDBM54154(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
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
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54154(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Affinity DataIC50:  6.89E+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
LigandPNGBDBM54154(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Affinity DataIC50:  5.82E+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
LigandPNGBDBM54154(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Affinity DataIC50:  5.79E+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