BDBM50257964 5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-2-((R)-2-methylpiperazin-1-yl)pyrimidine::CHEMBL494948

SMILES C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C

InChI Key InChIKey=QFPUYOAZKKYGQE-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50257964   

TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50257964(5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-...)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50257964(5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-...)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Beijing Normal University

Curated by ChEMBL
LigandPNGBDBM50257964(5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to human recombinant 5-HT2C expressed in HEK293 cells assessed as inhibition constant by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Beijing Normal University

Curated by ChEMBL
LigandPNGBDBM50257964(5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-...)
Affinity DataKi:  7.90nMAssay Description:Binding affinity to human recombinant 5-HT2B expressed in HEK293 cells assessed as inhibition constant by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed