null

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

InChI Key InChIKey=SDPGWJVXVCTHJY-HMILPKGGSA-N

  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 11 hits for monomerid = 50353395   

Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 1.79nMAssay 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
BindingDB Entry DOI: 10.7270/Q2CF9NRNUS Patent
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 53.5nMAssay Description:The inhibition assay using 11β-HSD1.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CF9NRNUS Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 3.60E+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
BindingDB Entry DOI: 10.7270/Q2CF9NRNUS Patent
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 1.79nMAssay 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
BindingDB Entry DOI: 10.7270/Q2416VPSUS Patent
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 53.5nMAssay Description:Inhibition assay using 11β-HSD1 in the presence of 50% human plasma. More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2416VPSUS Patent
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2P26ZH3PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 53.5nMpH: 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
BindingDB Entry DOI: 10.7270/Q29K48WRUS Patent
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 3.70nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2P26ZH3PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 1.80nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2P26ZH3PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2P26ZH3PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353395(CHEMBL1829782 | US8592410, 95 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 1.79nMpH: 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
BindingDB Entry DOI: 10.7270/Q29K48WRUS Patent