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  8 IC50  22 Kd  57 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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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50032675   

TargetRetinoic acid receptor RXR-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 DataKi:  5.90nMAssay Description:Selective activity of the compound towards retinoid X receptor-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataKi:  21nMAssay Description:Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR betaMore 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 DataKi:  21nMAssay Description:Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataKi:  21nMAssay Description:Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...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 DataEC50:  24nMAssay Description:Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cellsMore 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 DataEC50:  25nMAssay Description:Ability to activate gene expression at Retinoic acid receptor RXR-beta was evaluated in a cotransfection 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(Homo sapiens (Human))
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataEC50:  112nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-betaMore 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-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 DataEC50:  25nMAssay Description:Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  24nMAssay Description:Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR betaMore 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 DataEC50:  25nMAssay Description:Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  24nMAssay Description:Agonist activity at RXRbeta (unknown origin)More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  24nMAssay Description:Agonist activity RXRbeta (unknown origin)More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  24nMAssay Description:Agonist activity RXRbeta (unknown origin)More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  24nMAssay Description:Antagonist activity at rat histamine H3 receptor expressed in SK-NM-C cellsMore data for this Ligand-Target Pair