BDBM538513 US11254663, Example 440

SMILES CCOc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2

InChI Key InChIKey=LZAAIKZDZIQENI-UHFFFAOYSA-N

Data  2 IC50  3 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 5 hits for monomerid = 538513   

TargetBile acid receptor(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM538513(US11254663, Example 440)
Affinity DataEC50:  103nMAssay 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
US Patent

TargetBile acid receptor(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM538513(US11254663, Example 440)
Affinity DataEC50:  104nMAssay 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
TargetCytochrome P450 2C9(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM538513(US11254663, Example 440)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of recombinant CYP2C9 (unknown origin) using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs...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
LigandPNGBDBM538513(US11254663, Example 440)
Affinity DataIC50: 8.00E+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
TargetNuclear receptor subfamily 1 group I member 2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM538513(US11254663, Example 440)
Affinity DataEC50:  5.00E+4nMAssay Description:Transactivation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed