BDBM50052414 4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid::4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid::4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid::4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid::CHEMBL69367::US9963439, AM580

SMILES CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C

InChI Key InChIKey=SZWKGOZKRMMLAJ-UHFFFAOYSA-N

Data  4 IC50  6 Kd  13 EC50

PDB links: 3 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50052414   

TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  0.300nMAssay Description:Activity at human RARalpha ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  50nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  20nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDNA topoisomerase 1(Yersinia pestis)
University of Hawai'I At Hilo

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
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 Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataIC50: 2.30E+3nMAssay 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 Depth
Date in BDB:
3/30/2020
Entry Details
Go to US Patent

TargetCytochrome P450 26A1(Human)
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataIC50: 6.50E+3nMAssay 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 Depth
Date in BDB:
3/30/2020
Entry Details
Go to US Patent

TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  4nMAssay Description:Agonist activity at RARalpha by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  50.1nMAssay Description:Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor gamma(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  25.1nMAssay Description:Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  79.4nMAssay Description:Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  19.9nMAssay Description:Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  8.60nMAssay Description:Activity at human RARbeta ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor gamma(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  19nMAssay Description:Effective concentration for retinoic acid receptor RAR gamma transcriptional activationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRetinoic acid receptor gamma(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  13nMAssay Description:Activity at human RARgamma ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataIC50: 41nMAssay Description:Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor gamma(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  3.80E+3nMAssay Description:Binding affinity for retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  9nMAssay Description:Effective concentration for retinoic acid receptor RAR beta transcriptional activationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  2nMAssay Description:Effective concentration for retinoic acid receptor RAR alpha transcriptional activationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  36nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  1.36E+3nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor gamma(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  3.82E+3nMAssay Description:Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRetinoic acid receptor alpha(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  36nMAssay Description:Binding affinity fo retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor beta(Human)
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  1.40E+3nMAssay Description:Binding affinity for retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)