BDBM50600731 CHEMBL5178315

SMILES CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)[C@H]1C[C@@](O)(C1)C(F)(F)F

InChI Key InChIKey=YBZCVYGFJKBCMH-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50600731   

TargetBile acid receptor(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600731(CHEMBL5178315)
Affinity DataEC50:  152nMAssay 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
LigandPNGBDBM50600731(CHEMBL5178315)
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
TargetCytochrome P450 2C9(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600731(CHEMBL5178315)
Affinity DataIC50: 1.00E+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
LigandPNGBDBM50600731(CHEMBL5178315)
Affinity DataIC50: 1.00E+4nMAssay 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