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 17 hits for monomerid = 50032675   

TargetRetinoic acid receptor RXR-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 DataKi:  8.30nMAssay Description:Selective activity of the compound towards retinoid X receptor-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataKi:  29nMAssay Description:Inhibition of [3H]-9-cis-RA binding to RXR gamma receptorMore 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 DataKi:  29nMAssay Description:Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataKi:  29nMAssay Description:Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataKi:  75nMAssay Description:Binding affinity towards Retinoic acid receptor RXR-gammaMore 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 DataEC50:  20nMAssay Description:Inhibition of [3H]-ATRA binding to retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  25nMAssay Description:Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gammaMore 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:Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR gammaMore 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-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Affinity DataEC50:  20nMAssay Description:Ability to activate gene expression at Retinoic acid receptor RXR-gamma was evaluated in a cotransfection assay.More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  122nMAssay Description:Effective concentrations against Retinoic acid receptor RXR-gammaMore 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 DataEC50:  25nMAssay Description:Effective concentration against retinoid receptor isoform (RXR gamma) expressed in CV-1 cellsMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  20nMAssay Description:Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  25nMAssay Description:Agonist activity at RXRgamma (unknown origin)More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  25nMAssay Description:Agonist activity RXRgamma (unknown origin)More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  25nMAssay Description:Agonist activity RXRgamma (unknown origin)More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-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 DataEC50:  25nMAssay Description:Antagonist activity at human NK2 receptor expressed in CHO cells assessed as inhibition of Neurokinin A-induced increase in intracellular Ca2+ increa...More data for this Ligand-Target Pair