BDBM538299 US11254663, Example 157

SMILES CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nnc(o3)C3CC3)(CC1)CC2

InChI Key InChIKey=XUWUKXRBHHAXLU-UHFFFAOYSA-N

Data  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 538299   

TargetBile acid receptor(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM538299(US11254663, Example 157)
Affinity DataEC50:  43nMAssay Description:A Gal4-hFXR fusion construct reporter system was used as the primary assay to characterize compound activity. A construct including 5 copies of the G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2022
Entry Details
Go to US Patent

TargetBile acid receptor(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM538299(US11254663, Example 157)
Affinity DataEC50:  45nMAssay Description:Agonist activity at Gal4-fused human FXR in HEK293 cells incubated for 15 min by luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM538299(US11254663, Example 157)
Affinity DataEC50:  6.00E+3nMAssay Description:Transactivation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM538299(US11254663, Example 157)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant CYP2C19 (unknown origin) using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed