BDBM50048280 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid::6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid::ADAPALENE::CHEMBL1265

SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O

InChI Key InChIKey=LZCDAPDGXCYOEH-UHFFFAOYSA-N

Data  6 KI  10 IC50  4 EC50

  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 20 hits for monomerid = 50048280   

TargetRetinoic acid receptor beta(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataKi:  34nMAssay Description:Binding affinity towards Retinoic acid receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

TargetRetinoic acid receptor beta(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataKi:  34nMAssay Description:Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor gamma(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataKi:  130nMAssay Description:Binding affinity towards Retinoic acid receptor gammaMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

TargetRetinoic acid receptor gamma(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataKi:  130nMAssay Description:Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor alpha(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataKi:  1.10E+3nMAssay Description:Binding affinity towards Retinoic acid receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

TargetRetinoic acid receptor alpha(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataKi:  1.10E+3nMAssay Description:Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor beta(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetRetinoic acid receptor gamma(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataEC50:  3.10nMAssay Description:Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50:  5.10E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor alpha(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataEC50:  22nMAssay Description:Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAspartate aminotransferase, cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50:  2.18E+4nMAssay Description:Inhibition of C-terminal His6-tagged human recombinant GOT1 expressed in Escherichia coli BL21 (DE3) cells using aspartic acid and alpha-ketoglutaric...More data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycine receptor subunit alpha-1(Human)
University of Pittsburgh

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataEC50:  1.30E+3nMAssay Description:Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Affinity DataIC50: >1.33E+5nMAssay Description:The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed