BDBM336912 US9745289, Compound 44A::US9745289, Compound 44B

SMILES CS(=O)(=O)COc1cncc(c1)C1COc2c(O1)cccc2C#N

InChI Key InChIKey=XFZNIDCVSQYFLU-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 336912   

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

US Patent
LigandPNGBDBM336912(US9745289, Compound 44A | US9745289, Compound 44B)
Affinity DataIC50:  9nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM336912(US9745289, Compound 44A | US9745289, Compound 44B)
Affinity DataIC50:  1.30E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM336912(US9745289, Compound 44A | US9745289, Compound 44B)
Affinity DataIC50:  81nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM336912(US9745289, Compound 44A | US9745289, Compound 44B)
Affinity DataIC50:  2.20E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent