BDBM36972 2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]-1,3,4-oxadiazole::2-[4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]phenyl]-1,3,4-oxadiazole::2-[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]-1,3,4-oxadiazole::MLS000057116::SMR000062088::cid_2372914

SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1

InChI Key InChIKey=JWJJBNLDNFXLNE-UHFFFAOYSA-N

Data  2 IC50  4 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 = 36972   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36972(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Affinity DataEC50:  1.72E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36972(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Affinity DataEC50: >9.51E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM36972(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Affinity DataIC50:  1.70E+3nMMore 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
LigandPNGBDBM36972(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Affinity DataEC50:  1.32E+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
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TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM36972(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Affinity DataIC50:  1.52E+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
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36972(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Affinity DataEC50:  2.43E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay