Compile Data Set for Download or QSAR
Report error Found 30 Enz. Inhib. hit(s) with all data for entry = 50043115
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...)
Affinity DataEC50:  45nMAssay Description:Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436203(CHEMBL3039587)
Affinity DataIC50: 260nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...)
Affinity DataEC50:  317nMAssay Description:Binding affinity to human GTS-tagged FXR LBD using fluorescein-tagged SRC2-2 after 15 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...)
Affinity DataEC50:  373nMAssay Description:Binding affinity to human GTS-tagged FXR LBD using fluorescein-tagged SRC2-2 after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50318493(Nimotop | 3-isopropyl 5-(2-methoxyethyl) 2,6-dimet...)
Affinity DataEC50:  390nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(p...)
Affinity DataEC50:  753nMAssay Description:Binding affinity to human GTS-tagged FXR LBD using fluorescein-tagged SRC2-2 after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743(CHEMBL1358 | (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9...)
Affinity DataIC50: 790nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436200(CHEMBL282489)
Affinity DataIC50: 1.31E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743(CHEMBL1358 | (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9...)
Affinity DataEC50:  1.95E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21282(CHEMBL306764 | 2-methyl-3-(naphthalen-1-ylcarbonyl...)
Affinity DataEC50:  2.64E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50054245(CHEMBL45281 | cid_176157 | 5-Chloro-N-cyclopropylm...)
Affinity DataIC50: 2.77E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM22876(Sch 29851 | Claritin | CHEMBL998 | ethyl 4-{13-chl...)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM22876(Sch 29851 | Claritin | CHEMBL998 | ethyl 4-{13-chl...)
Affinity DataIC50: 3.07E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21282(CHEMBL306764 | 2-methyl-3-(naphthalen-1-ylcarbonyl...)
Affinity DataIC50: 3.22E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 3.24E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50191406((Z)-6'-Bromo-1H,1'H-[2,3']biindolylidene-3,2'-dion...)
Affinity DataIC50: 3.40E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50099491(cid_3392731 | CHEMBL21241 | 2-(4-{2-[3-Cyclohexyl-...)
Affinity DataIC50: 4.91E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50054245(CHEMBL45281 | cid_176157 | 5-Chloro-N-cyclopropylm...)
Affinity DataEC50:  4.95E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM41098(MLS000069629 | SMR000058204 | cid_3333 | FELODIPIN...)
Affinity DataIC50: 4.96E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436201(UR-4056 | FLUTRIMAZOLE)
Affinity DataEC50:  6.10E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM31770(cid_65495 | sulconazole | Exelderm | Sulconazole N...)
Affinity DataIC50: 6.88E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50301375(L-thyroxine | 3,3',5,5'-tetraiodo-L-thyronine | 3,...)
Affinity DataIC50: 7.86E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436204(CHEMBL109037)
Affinity DataIC50: 7.92E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436200(CHEMBL282489)
Affinity DataEC50:  8.60E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50318493(Nimotop | 3-isopropyl 5-(2-methoxyethyl) 2,6-dimet...)
Affinity DataIC50: 8.96E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436202(Palmitoyl-Dl-Carnitine Chloride | CHEMBL1256761)
Affinity DataIC50: 9.75E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM19441(Evista | CHEMBL81 | Keoxifene | Raloxifene, 6 | RA...)
Affinity DataIC50: 1.16E+4nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM19441(Evista | CHEMBL81 | Keoxifene | Raloxifene, 6 | RA...)
Affinity DataEC50:  1.17E+4nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21725((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Affinity DataIC50: 1.20E+4nMAssay Description:Antagonist activity at FXR (unknown origin) by coactivator assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436201(UR-4056 | FLUTRIMAZOLE)
Affinity DataIC50: 1.38E+4nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed