BDBM50499994 CHEMBL3741545

SMILES Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F

InChI Key InChIKey=AOMUWGOWJLARPE-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50499994   

TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50499994(CHEMBL3741545)
Affinity DataIC50: 9.56E+3nMAssay Description:Inhibition of human recombinant CYP1A2 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50499994(CHEMBL3741545)
Affinity DataIC50: 6.49E+4nMAssay Description:Inhibition of human recombinant CYP2C19 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50499994(CHEMBL3741545)
Affinity DataIC50: 9.50E+4nMAssay Description:Inhibition of human recombinant CYP3A4 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50499994(CHEMBL3741545)
Affinity DataIC50: 5.86E+4nMAssay Description:Inhibition of human recombinant CYP2D6 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed