BDBM50665336 CHEMBL6177252

SMILES CC(=O)Oc1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)c(F)c3)CC2)cc1

InChI Key InChIKey=XGMCDWCGZYEFDO-UHFFFAOYSA-N

Data  2 IC50  13 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 15 hits for monomerid = 50665336   

TargetBifunctional epoxide hydrolase 2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataIC50: 0.0300nMAssay Description:Inhibition of recombinant human sEH assessed as conversion of nonfluorescent MNPC cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetBifunctional epoxide hydrolase 2(Mouse)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of recombinant mouse sEH assessed as conversion of nonfluorescent MNPC cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50:  1.70E+3nMAssay Description:Partial agonist activity at human PPARgamma transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminescen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50:  2.08E+3nMAssay Description:Partial agonist activity at PPARgamma (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at LXRalpha (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetBile acid receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human FXR transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminescence based dual ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetRetinoic acid receptor gamma(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at RARgamma (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at RXRalpha (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetRetinoic acid receptor alpha(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at RARalpha (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetRetinoic acid receptor beta(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at RARbeta (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesce...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetOxysterols receptor LXR-beta(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at LXRbeta (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesce...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetRetinoic acid receptor RXR-gamma(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at RXRgamma (unknown origin) transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminesc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 3(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at CAR (unknown origin) transfected on HEK293T cells assessed as regulation of CYP3A4 expression incubated for 1 hrs and measured af...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50:  3.02E+4nMAssay Description:Partial agonist activity at human PPARalpha transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminescen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665336BDBM50665336(CHEMBL6177252)
Affinity DataEC50:  6.41E+4nMAssay Description:Partial agonist activity at human PPARdelta transfected in HEK293T cells incubated for 1 hrs and measured after 45 mins of shaking by chemiluminescen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed