BDBM336932 N-[5-(5-Cyano-2,3-dihydro- benzo[1,4]dioxin-2-yl)-pyridin-3-ylmethyl]- 2,2,2-trifluoro-acetamide::US9745289, Compound 53

SMILES FC(F)(F)C(=O)NCc1cncc(c1)C1COc2c(O1)cccc2C#N

InChI Key InChIKey=IOOIFAQSVQOYHR-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 336932   

TargetCytochrome P450 11B2, mitochondrial(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM336932(N-[5-(5-Cyano-2,3-dihydro- benzo[1,4]dioxin-2-yl)-...)
Affinity DataIC50: 35nMAssay Description:Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details
Go to US Patent

TargetCytochrome P450 11B1, mitochondrial(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM336932(N-[5-(5-Cyano-2,3-dihydro- benzo[1,4]dioxin-2-yl)-...)
Affinity DataIC50: 2.40E+4nMAssay Description:Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details
Go to US Patent