BDBM50204042 CHEMBL3916230

SMILES O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)CC1=NCCN1

InChI Key InChIKey=SJDKJGLLQDHDJD-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 = 50204042   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50204042BDBM50204042(CHEMBL3916230)
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 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50204042BDBM50204042(CHEMBL3916230)
Affinity DataIC50: 1.32E+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
LigandChemical structure of BindingDB Monomer ID 50204042BDBM50204042(CHEMBL3916230)
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
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50204042BDBM50204042(CHEMBL3916230)
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