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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM107483'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107483
PNG
(US8575157, 192 | US8592410, Comparator 4 | US85981...)
Show SMILES OCC[C@@]1(CCN(C(=O)O1)c1cccc(n1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
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US Patent
n/an/a 1.44n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107483
PNG
(US8575157, 192 | US8592410, Comparator 4 | US85981...)
Show SMILES OCC[C@@]1(CCN(C(=O)O1)c1cccc(n1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
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US Patent
n/an/a 1.44n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107483
PNG
(US8575157, 192 | US8592410, Comparator 4 | US85981...)
Show SMILES OCC[C@@]1(CCN(C(=O)O1)c1cccc(n1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
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US Patent
n/an/a 1.44n/an/an/an/a7.4n/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8598163 (2013)


BindingDB Entry DOI: 10.7270/Q29K48WR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107483
PNG
(US8575157, 192 | US8592410, Comparator 4 | US85981...)
Show SMILES OCC[C@@]1(CCN(C(=O)O1)c1cccc(n1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
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US Patent
n/an/a 15.2n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH

US Patent


Assay Description
Inhibition assay using 11β-HSD1 in the presence of 50% human plasma.


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107483
PNG
(US8575157, 192 | US8592410, Comparator 4 | US85981...)
Show SMILES OCC[C@@]1(CCN(C(=O)O1)c1cccc(n1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
PDB
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US Patent
n/an/a 15.2n/an/an/an/a7.4n/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8598163 (2013)


BindingDB Entry DOI: 10.7270/Q29K48WR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107483
PNG
(US8575157, 192 | US8592410, Comparator 4 | US85981...)
Show SMILES OCC[C@@]1(CCN(C(=O)O1)c1cccc(n1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-19-11-9-17(10-12-19)20-7-4-8-21(25-20)26-15-13-23(14-16-27,29-22(26)28)18-5-2-1-3-6-18/h1-12,27H,13-16H2/t23-/m0/s1
PDB
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PC sid
UniChem

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US Patent
n/an/a 15.2n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition assay using 11β-HSD1.


US Patent US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair