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10 similar compounds to monomer 107475

Compile data set for download or QSAR
Wt: 475.5
BDBM107478
Wt: 501.6
BDBM107479
Wt: 487.5
BDBM107480
Wt: 447.5
BDBM107496
Wt: 470.5
BDBM107469
Wt: 465.5
BDBM107471
Wt: 479.5
BDBM107473
Wt: 475.5
BDBM107474
Wt: 529.5
BDBM107476
Wt: 475.5
BDBM107477

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 107478,107479,107480,107496,107469,107471,107473,107474,107476,107477   
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))
BDBM107469
PNG
(US8592410, 4)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C28H30N4O3/c1-20(21-10-12-22(13-11-21)24-14-15-25(33)31(4)30-24)32-17-16-28(35-26(32)34,18-27(2,3)19-29)23-8-6-5-7-9-23/h5-15,20H,16-18H2,1-4H3/t20-,28-/m0/s1
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n/an/a 0.930n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107471
PNG
(US8592410, 10)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H28FN3O4/c1-18(19-4-6-20(7-5-19)23-12-13-24(32)29(2)28-23)30-16-15-26(14-3-17-31,34-25(30)33)21-8-10-22(27)11-9-21/h4-13,18,31H,3,14-17H2,1-2H3/t18-,26+/m0/s1
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n/an/a 1.42E+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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107496
PNG
(US8592410, 12)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H29N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(31)28(2)27-23)29-17-16-26(15-6-18-30,33-25(29)32)22-7-4-3-5-8-22/h3-5,7-14,19,30H,6,15-18H2,1-2H3/t19-,26+/m0/s1
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n/an/a 1.78n/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))
BDBM107473
PNG
(US8592410, 13)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C27H30FN3O4/c1-18(19-5-7-20(8-6-19)23-13-14-24(32)30(4)29-23)31-16-15-27(35-25(31)33,17-26(2,3)34)21-9-11-22(28)12-10-21/h5-14,18,34H,15-17H2,1-4H3/t18-,27-/m0/s1
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n/an/a 1.39n/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))
BDBM107474
PNG
(US8592410, 14)
Show SMILES CCn1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-5-31-25(32)16-15-24(29-31)22-13-11-21(12-14-22)20(2)30-18-17-28(35-26(30)33,19-27(3,4)34)23-9-7-6-8-10-23/h6-16,20,34H,5,17-19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 1.52n/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))
BDBM107476
PNG
(US8592410, 16)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1
Show InChI InChI=1S/C28H30F3N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(35)34(32-23)18-28(29,30)31)33-16-15-27(38-25(33)36,17-26(2,3)37)22-7-5-4-6-8-22/h4-14,19,37H,15-18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 1.14n/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))
BDBM107477
PNG
(US8592410, 17)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(29-30(5)25(19)32)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a 1.25n/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))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/m0/s1
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n/an/a 0.860n/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))
BDBM107480
PNG
(US8592410, 20)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(n1)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-20(21-9-11-22(12-10-21)25-15-16-26(33)32(30-25)24-13-14-24)31-18-17-29(36-27(31)34,19-28(2,3)35)23-7-5-4-6-8-23/h4-12,15-16,20,24,35H,13-14,17-19H2,1-3H3/t20-,29-/m0/s1
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n/an/a 1.08n/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))
BDBM107469
PNG
(US8592410, 4)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C28H30N4O3/c1-20(21-10-12-22(13-11-21)24-14-15-25(33)31(4)30-24)32-17-16-28(35-26(32)34,18-27(2,3)19-29)23-8-6-5-7-9-23/h5-15,20H,16-18H2,1-4H3/t20-,28-/m0/s1
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n/an/a 1.95n/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))
BDBM107471
PNG
(US8592410, 10)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H28FN3O4/c1-18(19-4-6-20(7-5-19)23-12-13-24(32)29(2)28-23)30-16-15-26(14-3-17-31,34-25(30)33)21-8-10-22(27)11-9-21/h4-13,18,31H,3,14-17H2,1-2H3/t18-,26+/m0/s1
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n/an/a 8.04n/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))
BDBM107496
PNG
(US8592410, 12)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H29N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(31)28(2)27-23)29-17-16-26(15-6-18-30,33-25(29)32)22-7-4-3-5-8-22/h3-5,7-14,19,30H,6,15-18H2,1-2H3/t19-,26+/m0/s1
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n/an/a 6.10n/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))
BDBM107473
PNG
(US8592410, 13)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C27H30FN3O4/c1-18(19-5-7-20(8-6-19)23-13-14-24(32)30(4)29-23)31-16-15-27(35-25(31)33,17-26(2,3)34)21-9-11-22(28)12-10-21/h5-14,18,34H,15-17H2,1-4H3/t18-,27-/m0/s1
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n/an/a 8.80n/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))
BDBM107474
PNG
(US8592410, 14)
Show SMILES CCn1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-5-31-25(32)16-15-24(29-31)22-13-11-21(12-14-22)20(2)30-18-17-28(35-26(30)33,19-27(3,4)34)23-9-7-6-8-10-23/h6-16,20,34H,5,17-19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 4.05n/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))
BDBM107476
PNG
(US8592410, 16)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1
Show InChI InChI=1S/C28H30F3N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(35)34(32-23)18-28(29,30)31)33-16-15-27(38-25(33)36,17-26(2,3)37)22-7-5-4-6-8-22/h4-14,19,37H,15-18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 3.83n/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))
BDBM107477
PNG
(US8592410, 17)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(29-30(5)25(19)32)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a 6.08n/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))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/m0/s1
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n/an/a 4.97n/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))
BDBM107480
PNG
(US8592410, 20)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(n1)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-20(21-9-11-22(12-10-21)25-15-16-26(33)32(30-25)24-13-14-24)31-18-17-29(36-27(31)34,19-28(2,3)35)23-7-5-4-6-8-23/h4-12,15-16,20,24,35H,13-14,17-19H2,1-3H3/t20-,29-/m0/s1
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n/an/a 3.26n/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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM107496
PNG
(US8592410, 12)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H29N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(31)28(2)27-23)29-17-16-26(15-6-18-30,33-25(29)32)22-7-4-3-5-8-22/h3-5,7-14,19,30H,6,15-18H2,1-2H3/t19-,26+/m0/s1
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n/an/a>5.00E+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 3A


(Homo sapiens (Human))
BDBM107473
PNG
(US8592410, 13)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C27H30FN3O4/c1-18(19-5-7-20(8-6-19)23-13-14-24(32)30(4)29-23)31-16-15-27(35-25(31)33,17-26(2,3)34)21-9-11-22(28)12-10-21/h5-14,18,34H,15-17H2,1-4H3/t18-,27-/m0/s1
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n/an/a>5.00E+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 3A


(Homo sapiens (Human))
BDBM107474
PNG
(US8592410, 14)
Show SMILES CCn1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-5-31-25(32)16-15-24(29-31)22-13-11-21(12-14-22)20(2)30-18-17-28(35-26(30)33,19-27(3,4)34)23-9-7-6-8-10-23/h6-16,20,34H,5,17-19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 3.27E+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 3A


(Homo sapiens (Human))
BDBM107476
PNG
(US8592410, 16)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1
Show InChI InChI=1S/C28H30F3N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(35)34(32-23)18-28(29,30)31)33-16-15-27(38-25(33)36,17-26(2,3)37)22-7-5-4-6-8-22/h4-14,19,37H,15-18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 1.56E+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 3A


(Homo sapiens (Human))
BDBM107477
PNG
(US8592410, 17)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(29-30(5)25(19)32)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a 3.10E+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 3A


(Homo sapiens (Human))
BDBM107478
PNG
(US8592410, 18)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1nn(C)c(=O)cc1C
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(32)30(5)29-25(19)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a>5.00E+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 3A


(Homo sapiens (Human))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/m0/s1
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n/an/a 5.70E+3n/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 3A


(Homo sapiens (Human))
BDBM107480
PNG
(US8592410, 20)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(n1)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-20(21-9-11-22(12-10-21)25-15-16-26(33)32(30-25)24-13-14-24)31-18-17-29(36-27(31)34,19-28(2,3)35)23-7-5-4-6-8-23/h4-12,15-16,20,24,35H,13-14,17-19H2,1-3H3/t20-,29-/m0/s1
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n/an/a 1.57E+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))
BDBM107496
PNG
(US8592410, 12)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H29N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(31)28(2)27-23)29-17-16-26(15-6-18-30,33-25(29)32)22-7-4-3-5-8-22/h3-5,7-14,19,30H,6,15-18H2,1-2H3/t19-,26+/m0/s1
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n/an/a>5.00E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107473
PNG
(US8592410, 13)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C27H30FN3O4/c1-18(19-5-7-20(8-6-19)23-13-14-24(32)30(4)29-23)31-16-15-27(35-25(31)33,17-26(2,3)34)21-9-11-22(28)12-10-21/h5-14,18,34H,15-17H2,1-4H3/t18-,27-/m0/s1
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n/an/a>5.00E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107474
PNG
(US8592410, 14)
Show SMILES CCn1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-5-31-25(32)16-15-24(29-31)22-13-11-21(12-14-22)20(2)30-18-17-28(35-26(30)33,19-27(3,4)34)23-9-7-6-8-10-23/h6-16,20,34H,5,17-19H2,1-4H3/t20-,28-/m0/s1
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n/an/a>5.00E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107476
PNG
(US8592410, 16)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1
Show InChI InChI=1S/C28H30F3N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(35)34(32-23)18-28(29,30)31)33-16-15-27(38-25(33)36,17-26(2,3)37)22-7-5-4-6-8-22/h4-14,19,37H,15-18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 1.30E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107477
PNG
(US8592410, 17)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(29-30(5)25(19)32)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a>5.00E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107478
PNG
(US8592410, 18)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1nn(C)c(=O)cc1C
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(32)30(5)29-25(19)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a>5.00E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/m0/s1
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n/an/a 1.07E+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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM107480
PNG
(US8592410, 20)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(n1)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-20(21-9-11-22(12-10-21)25-15-16-26(33)32(30-25)24-13-14-24)31-18-17-29(36-27(31)34,19-28(2,3)35)23-7-5-4-6-8-23/h4-12,15-16,20,24,35H,13-14,17-19H2,1-3H3/t20-,29-/m0/s1
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n/an/a 2.88E+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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM107496
PNG
(US8592410, 12)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H29N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(31)28(2)27-23)29-17-16-26(15-6-18-30,33-25(29)32)22-7-4-3-5-8-22/h3-5,7-14,19,30H,6,15-18H2,1-2H3/t19-,26+/m0/s1
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n/an/a>5.00E+4n/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 2C19


(Homo sapiens (Human))
BDBM107473
PNG
(US8592410, 13)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C27H30FN3O4/c1-18(19-5-7-20(8-6-19)23-13-14-24(32)30(4)29-23)31-16-15-27(35-25(31)33,17-26(2,3)34)21-9-11-22(28)12-10-21/h5-14,18,34H,15-17H2,1-4H3/t18-,27-/m0/s1
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n/an/a>5.00E+4n/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 2C19


(Homo sapiens (Human))
BDBM107474
PNG
(US8592410, 14)
Show SMILES CCn1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-5-31-25(32)16-15-24(29-31)22-13-11-21(12-14-22)20(2)30-18-17-28(35-26(30)33,19-27(3,4)34)23-9-7-6-8-10-23/h6-16,20,34H,5,17-19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 4.63E+4n/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 2C19


(Homo sapiens (Human))
BDBM107476
PNG
(US8592410, 16)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1
Show InChI InChI=1S/C28H30F3N3O4/c1-19(20-9-11-21(12-10-20)23-13-14-24(35)34(32-23)18-28(29,30)31)33-16-15-27(38-25(33)36,17-26(2,3)37)22-7-5-4-6-8-22/h4-14,19,37H,15-18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 1.89E+4n/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 2C19


(Homo sapiens (Human))
BDBM107477
PNG
(US8592410, 17)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(29-30(5)25(19)32)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a>5.00E+4n/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 2C19


(Homo sapiens (Human))
BDBM107478
PNG
(US8592410, 18)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1nn(C)c(=O)cc1C
Show InChI InChI=1S/C28H33N3O4/c1-19-17-24(32)30(5)29-25(19)22-13-11-21(12-14-22)20(2)31-16-15-28(35-26(31)33,18-27(3,4)34)23-9-7-6-8-10-23/h6-14,17,20,34H,15-16,18H2,1-5H3/t20-,28-/m0/s1
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n/an/a>5.00E+4n/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 2C19


(Homo sapiens (Human))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/m0/s1
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n/an/a 5.40E+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 2C19


(Homo sapiens (Human))
BDBM107480
PNG
(US8592410, 20)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(n1)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-20(21-9-11-22(12-10-21)25-15-16-26(33)32(30-25)24-13-14-24)31-18-17-29(36-27(31)34,19-28(2,3)35)23-7-5-4-6-8-23/h4-12,15-16,20,24,35H,13-14,17-19H2,1-3H3/t20-,29-/m0/s1
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n/an/a 1.31E+4n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107471
PNG
(US8592410, 10)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C26H28FN3O4/c1-18(19-4-6-20(7-5-19)23-12-13-24(32)29(2)28-23)30-16-15-26(14-3-17-31,34-25(30)33)21-8-10-22(27)11-9-21/h4-13,18,31H,3,14-17H2,1-2H3/t18-,26+/m0/s1
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n/an/a 1.90n/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