BDBM50032675 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid::BEXAROTENE::CHEMBL1023::p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid

SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C

InChI Key InChIKey=NAVMQTYZDKMPEU-UHFFFAOYSA-N

Data  34 KI  7 IC50  22 Kd  54 EC50

PDB links: 2 PDB IDs match this monomer.

  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 22 hits for monomerid = 50032675   

TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  36nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  7nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  26nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  42nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  51nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetDimer of Retinoic acid receptor RXR-alpha(Homo sapiens (Human))
University Of Texas Southwestern Medical Center

LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  28nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetDimer of Retinoic acid receptor RXR-alpha(Homo sapiens (Human))
University Of Texas Southwestern Medical Center

LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  18nMpH: 7.4 T: 2°CAssay Description:Binding assay using human retinoid X receptor alpha (RXR).More data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd: >1.00E+3nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  29nMAssay Description:Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd: >1.00E+3nMAssay Description:Tested for binding affinity against [3H]-ATRA binding to retinoid receptor isoform (RAR gamma) expressed in baculovirusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor beta(Homo sapiens (Human))
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd: >1.00E+3nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  36nMAssay Description:Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay.More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  29nMAssay Description:Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay.More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  21nMAssay Description:Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay.More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  21nMAssay Description:Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  14nMAssay Description:Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  1.89E+3nMAssay Description:Agonist activity at human RXR-alpha-ligand binding domain homodimers assessed as coactivator recruitment by measuring GRIP1 binding to receptor by is...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  26nMAssay Description:Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching methodMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  36nMAssay Description:Dissociation constant for binding to Retinoic acid receptor RXR-alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  1.59E+3nMAssay Description:Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  210nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataKd:  210nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair