BDBM107601 US8575157, 50

SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1

InChI Key InChIKey=DLWOOKUVKDJBLM-LGGPFLRQSA-N

Data  6 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 6 hits for monomerid = 107601   

Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM107601(US8575157, 50)
Affinity DataIC50:  0.610nMAssay Description:The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...More data for this Ligand-Target Pair
In DepthDetails US Patent

Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM107601(US8575157, 50)
Affinity DataIC50:  1.97nMAssay Description:Inhibition assay using 11β-HSD1 in the presence of 50% human plasma. More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 2C9(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM107601(US8575157, 50)
Affinity DataIC50:  5.10E+3nMAssay Description:The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 2C9(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM107601(US8575157, 50)
Affinity DataIC50:  1.10E+4nMT: 37°CAssay Description:Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 2C19(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM107601(US8575157, 50)
Affinity DataIC50:  2.70E+4nMT: 37°CAssay Description:Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 3A4(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM107601(US8575157, 50)
Affinity DataIC50:  1.40E+4nMT: 37°CAssay Description:The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylati...More data for this Ligand-Target Pair
In DepthDetails US Patent