BDBM124182 US10221160, Example 1::US11247981, Example 1::US8754227, 1

SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N

InChI Key InChIKey=HKIZMJLDZKXRKA-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 124182   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50: >6.00E+4nMAssay Description:Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  3.50E+4nMAssay Description:Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  1.60E+4nMAssay Description:Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  1.60E+4nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  3.50E+4nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  1.60E+4nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50: >6.00E+4nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50:  3.50E+4nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

US Patent
LigandPNGBDBM124182(US10221160, Example 1 | US11247981, Example 1 | US...)
Affinity DataIC50: >6.00E+4nMAssay Description:Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...More data for this Ligand-Target Pair
In DepthDetails US Patent