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: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Hepsin (Homo sapiens (Human)) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | US Patent | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay 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... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Sus scrofa) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | US Patent | n/a | n/a | 3.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay 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... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay 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... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2J2 (Homo sapiens (Human)) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method | Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AtheroGenics, Inc. Curated by ChEMBL | Assay Description Inhibition of 15-lipoxygenase by LMB assay | J Med Chem 47: 6420-32 (2004) Article DOI: 10.1021/jm049685u BindingDB Entry DOI: 10.7270/Q2RB75D0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
VCAM-1 (Homo sapiens (Human)) | BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AtheroGenics, Inc. Curated by ChEMBL | Assay Description Inhibition of TNF-alpha inducible Vascular cell adhesion molecule-1 expression. | Bioorg Med Chem Lett 12: 2545-8 (2002) BindingDB Entry DOI: 10.7270/Q23X860C | |||||||||||
More data for this Ligand-Target Pair |