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(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O

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:
   Substructure
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 gamma(Homo sapiens (Human))
Allergan

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 DepthDetails ArticlePubMed
TargetRetinoic acid receptor beta(Homo sapiens (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
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan

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 DepthDetails ArticlePubMed
TargetRetinoic acid receptor beta(Homo sapiens (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
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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 gamma transcriptional activationMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Acadia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataEC50:  9nMAssay Description:Binding affinity for retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataKd:  3.80E+3nMAssay Description:Binding affinity fo retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan

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 cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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 cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (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 cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (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
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan

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 DepthDetails ArticlePubMed
TargetRetinoic acid receptor beta(Homo sapiens (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
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan

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
TargetCytochrome P450 26A1(Homo sapiens (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 DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails US Patent
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 DepthDetails ArticlePubMed
TargetRetinoic acid receptor beta(Homo sapiens (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
TargetRetinoic acid receptor beta(Homo sapiens (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