BDBM50007260 2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenol::2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol::2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol(probucol)::2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenol::CHEMBL608::DH-581::Lorelco::PROBUCOL::US9182402, 14

SMILES CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

InChI Key InChIKey=FYPMFJGVHOHGLL-UHFFFAOYSA-N

Data  8 IC50

  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 8 hits for monomerid = 50007260   

TargetSerine protease hepsin(Human)
Fred Hutchinson Cancer Research Center

US Patent
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50:  430nMAssay Description:To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetTrypsin(Pig)
Fred Hutchinson Cancer Research Center

US Patent
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50:  3.35E+4nMAssay Description:To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetProthrombin(Bovine)
Fred Hutchinson Cancer Research Center

US Patent
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50: >2.00E+4nMAssay Description:To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Human)
Ludwig-Maximilians University

Curated by ChEMBL
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of SIRT5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Human)
Atherogenics

Curated by ChEMBL
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of 15-lipoxygenase by LMB assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetVascular cell adhesion protein 1(Human)
Atherogenics

Curated by ChEMBL
LigandPNGBDBM50007260(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of TNF-alpha inducible Vascular cell adhesion molecule-1 expression.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed