BDBM50353386 CHEMBL1829763::US8592410, 88::US8592410, Comparator 3::US8598163, 61

SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F

InChI Key InChIKey=SLSMHOGJKAPYQU-QLXKLKPCSA-N

Data  24 IC50  3 EC50

  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 27 hits for monomerid = 50353386   

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

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  0.75nMAssay 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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human 11beta-HSD1 incubated for 22 hrs by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  7.40E+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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  4.10E+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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  5.70E+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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  4.90E+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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  0.75nMAssay 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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  17.7nMAssay 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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  0.75nMpH: 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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  17.7nMpH: 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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  0.800nMAssay 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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  2.5nMAssay 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
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of 17beta-HSD1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataEC50: >5.00E+3nMAssay Description:Binding affinity to MRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity to FXRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of 3 beta-HSD2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human 11 beta-HSD2 expressed in CHO cells assessed as conversion of [3H]cortisol to [3H]cortisone after 1 hr by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  1.20E+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
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  18nMAssay 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(Mus musculus (mouse))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  670nMAssay Description:Inhibition of mouse 11 beta-HSD1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity to GRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Affinity DataIC50:  17.7nMAssay Description:The inhibition assay using 11β-HSD1.More data for this Ligand-Target Pair
In DepthDetails US Patent