BDBM50572809 CHEMBL4866043

SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F

InChI Key InChIKey=IHPLYTHECYNRBF-UHFFFAOYSA-N

Data  7 IC50

  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 8 hits for monomerid = 50572809   

TargetEstrogen receptor(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 0.0600nMAssay Description:Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataEC50:  0.233nMAssay Description:All of the exemplary Formula I compounds in Tables 1 and 2 were tested for binding to ERa (Estrogen Receptor alpha) and biological activity according...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2025
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 1.60E+3nMAssay Description:Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 2.70E+3nMAssay Description:Reversible inhibition of CYP3A4 in human liver microsomes at 10 uM using midazolam as substrate preincubated for 10 mins followed by NADPH addition b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells incubated for 5 mins by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP2C19 in human liver microsomes using (S)-Mephenytoin as substrate preincubated for 40 mins followed by NADPH addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50572809(CHEMBL4866043 | US20250114338, Example 365)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP2C9 in human liver microsomes using (s)-warfarin as substrate preincubated for 30 mins followed by NADPH addition by LC/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed