BDBM50061625 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid::Am 80::CHEMBL25202::Tamibarotene::US9963439, AM80::retinobenzoic acid

SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12

InChI Key InChIKey=MUTNCGKQJGXKEM-UHFFFAOYSA-N

Data  2 KI  6 IC50  2 Kd  3 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50061625   

TargetRetinoic acid receptor alpha(Homo sapiens (Human))
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataKi:  6.5nMAssay Description:Agonistic activity of the compound towards retinoic acid receptor-alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor beta(Homo sapiens (Human))
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataKi:  30nMAssay Description:Agonistic activity of the compound towards retinoic acid receptor-betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor alpha(Homo sapiens (Human))
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataIC50:  78nMAssay Description:Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor alpha(Homo sapiens (Human))
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataEC50:  45nMAssay Description:Agonist activity at RARalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFlavin reductase (NADPH)(Homo sapiens)
Korea Basic Science Institute

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataKd:  1.38E+3nMAssay Description:Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...More data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataEC50:  591nMAssay Description:Agonist activity at RARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 26A1(Homo sapiens (Human))
University of Washington Through its Center for Commercialization

US Patent
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataIC50:  1.31E+4nMAssay Description:Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Washington Through its Center for Commercialization

US Patent
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataIC50:  1.07E+4nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDNA topoisomerase 1(Yersinia pestis)
University of Hawai'i at Hilo

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFlavin reductase (NADPH)(Homo sapiens)
Korea Basic Science Institute

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataKd:  1.38E+3nMAssay Description:Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...More data for this Ligand-Target Pair
TargetAminopeptidase N(Sus scrofa (Pig))
Shandong University

LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataIC50: >1.00E+5nMpH: 7.2Assay Description:Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 C. The APN solution was mixed with compounds at v...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Shandong University

LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataIC50: >1.00E+5nMAssay Description:Briefly, the HDAC8 enzyme was diluted 20 times. Then, 10 μL of HDAC8 solution was mixed with compounds at various concentrations (50 μL). T...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor beta(Homo sapiens (Human))
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50061625(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Affinity DataEC50:  235nMAssay Description:Agonist activity at RARbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank