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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 107488   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 1.30n/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))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 1.30n/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))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 1.30n/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))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 8.94n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 8.94n/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))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 8.94n/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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation ...


US Patent US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 1.97E+4n/an/an/an/an/a37



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay 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...


US Patent US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 2.46E+4n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).


US Patent US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107488
PNG
(US8575157, 202 | US8592410, Comparator 14 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C21H22F3NO4/c1-14(15-2-8-18(9-3-15)28-19(23)24)25-12-10-21(11-13-26,29-20(25)27)16-4-6-17(22)7-5-16/h2-9,14,19,26H,10-13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 2.59E+4n/an/an/an/an/a37



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...


US Patent US8592410 (2013)


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