BDBM50353405 CHEMBL1829759::US8575157, 196::US8592410, 93::US8592410, Comparator 8

SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F

InChI Key InChIKey=PDBVUENMKQBWQZ-UHFFFAOYSA-N

Data  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50353405   

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 0.720nMAssay 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 Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 17.9nMAssay Description:The inhibition assay using 11β-HSD1.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 5.30E+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 Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 2.40E+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 Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 5.60E+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 Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 0.720nMAssay 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 Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 17.9nMAssay Description:Inhibition assay using 11β-HSD1 in the presence of 50% human plasma. More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2014
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 0.720nMpH: 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 Depth
Date in BDB:
4/28/2014
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 17.9nMpH: 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 Depth
Date in BDB:
4/28/2014
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
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 Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 0.700nMAssay 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 Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
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 Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50353405(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Affinity DataIC50: 1.40E+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 Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed