BDBM50204025 CHEMBL3892856

SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)C[C@H]1CCCN1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key InChIKey=HJFUEOSIZHFJQY-UHFFFAOYSA-N

Data  4 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 = 50204025   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50204025(CHEMBL3892856)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins after 30 secs by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2018
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50204025(CHEMBL3892856)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes after 30 secs by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2018
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50204025(CHEMBL3892856)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes after 30 secs by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2018
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50204025(CHEMBL3892856)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes after 30 secs by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2018
Entry Details Article
PubMed