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

Curated by ChEMBL
LigandPNGBDBM50436203(CHEMBL3039587)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436200(CHEMBL282489)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50054245(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21282(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50191406((Z)-6'-Bromo-1H,1'H-[2,3']biindolylidene-3,2'-dion...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50099491(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM41098(FELODIPINE | MLS000069629 | SMR000058204 | cid_333...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM31770(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50301375(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436204(CHEMBL109037)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50318493(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436202(CHEMBL1256761 | Palmitoyl-Dl-Carnitine Chloride)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21725((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+4nMAssay Description:Antagonist activity at FXR (unknown origin) by coactivator assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436201(FLUTRIMAZOLE | UR-4056)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436201(FLUTRIMAZOLE | UR-4056)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50318493(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21282(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50054245(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50436200(CHEMBL282489)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67J9ZPubMed
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)copy SMILEScopy InChI
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
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)copy SMILEScopy InChI
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
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)copy SMILEScopy InChI
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
TargetBile acid receptor(Homo sapiens (Human))
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)copy SMILEScopy InChI
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