BDBM50120065 4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-2,6-difluoro-benzoic acid::CHEMBL107430

SMILES CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1

InChI Key InChIKey=PNAWUIKCVQSLFG-UHFFFAOYSA-N

Data  5 IC50  3 Kd  1 EC50

  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 9 hits for monomerid = 50120065   

TargetRetinoic acid receptor alpha(Human)
Allergan

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataEC50:  200nMAssay 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
PubMed
TargetRetinoic acid receptor gamma(Human)
Allergan

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataKd: >1.00E+6nMAssay 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)
Allergan

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataKd: >1.00E+6nMAssay 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
PubMed
TargetRetinoic acid receptor alpha(Human)
Allergan

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataKd:  3nMAssay 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
PubMed
TargetCytochrome P450 2C9(Human)
King'S College

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
King'S College

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
King'S College

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
King'S College

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
King'S College

Curated by ChEMBL
LigandPNGBDBM50120065(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed