BDBM50602549 CHEMBL5183354

SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=TZXAENYIJDOHQI-UHFFFAOYSA-N

Data  5 IC50

  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 = 50602549   

TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50602549(CHEMBL5183354)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6-beta-hydroxy-testosterone formation using testosterone as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50602549(CHEMBL5183354)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1'-hydroxy midazolam formation using midazolam as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50602549(CHEMBL5183354)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6-beta-hydroxy-testosterone formation using testosterone as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50602549(CHEMBL5183354)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1'-hydroxy midazolam formation using midazolam as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Picardy Jules Verne

Curated by ChEMBL
LigandPNGBDBM50602549(CHEMBL5183354)
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of hERG channel expressed in CHO cells at holding potential of -80 mV by whole cell patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed