BDBM50353392 CHEMBL1829761::US8575157, 197::US8592410, Comparator 9::US8598163, 67

SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1

InChI Key InChIKey=NRQVLVGDMUNLPF-CCLHPLFOSA-N

Data  14 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 14 hits for monomerid = 50353392   

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

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  0.550nMAssay 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(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  11.9nMAssay Description:The inhibition assay using 11β-HSD1.More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  7.00E+3nMT: 2°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
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  3.10E+3nMT: 2°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(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  9.30E+3nMAssay 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 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  2.50E+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
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]-cortisone to [3H]-cortisol after 1 hr by scintillation proximi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  11.9nMAssay Description:Inhibition assay using 11β-HSD1 in the presence of 50% human plasma. More data for this Ligand-Target Pair
In DepthDetails US Patent
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  0.550nMpH: 7.4Assay 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(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  11.9nMpH: 7.4Assay 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(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of human CYP3A4 assessed as rate of [14C]-formaldehyde/formic acid production by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Affinity DataIC50:  0.550nMAssay 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