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Compile Data Set for Download or QSAR

Found 45 hits of ec50 for UniProtKB: P28845   
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 [24-292,C272S]


(Homo sapiens (Human))
BDBM32573
PNG
(CHEMBL427896 | arylsulfonylpiperazine, 45)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1
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n/an/a 3n/a 57n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32538
PNG
(arylsulfonylpiperazine, 10)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C20H24F3N3O2S/c1-19(2,3)15-6-8-16(9-7-15)29(27,28)26-13-11-25(12-14-26)18-17(20(21,22)23)5-4-10-24-18/h4-10H,11-14H2,1-3H3
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n/an/a 4n/a 201n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32550
PNG
(arylsulfonylpiperazine, 22)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2F3N3O2S/c17-11-3-4-14(13(18)10-11)27(25,26)24-8-6-23(7-9-24)15-12(16(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2
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n/an/a 7n/a 241n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32561
PNG
(arylsulfonylpiperazine, 33)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O4S/c1-20(2,3)16-4-10-19(11-5-16)28(26,27)22-14-12-21(13-15-22)17-6-8-18(9-7-17)23(24)25/h4-11H,12-15H2,1-3H3
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n/an/a 10n/a 247n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32566
PNG
(arylsulfonylpiperazine, 38)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C21H26F3N3O2S/c1-20(2,3)16-7-9-17(10-8-16)30(28,29)27-13-5-12-26(14-15-27)19-18(21(22,23)24)6-4-11-25-19/h4,6-11H,5,12-15H2,1-3H3
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n/an/a 3n/a 315n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32547
PNG
(arylsulfonylpiperazine, 19)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)17-8-4-10-24-19(17)25-11-13-26(14-12-25)29(27,28)18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2
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n/an/a 13n/a 329n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32542
PNG
(arylsulfonylpiperazine, 14)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3S/c1-26-13-4-6-14(7-5-13)27(24,25)23-11-9-22(10-12-23)16-15(17(18,19)20)3-2-8-21-16/h2-8H,9-12H2,1H3
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n/an/a 19n/a 456n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32575
PNG
(arylsulfonylpiperazine, 1)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O2S/c1-13-4-6-14(7-5-13)26(24,25)23-11-9-22(10-12-23)16-15(17(18,19)20)3-2-8-21-16/h2-8H,9-12H2,1H3
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n/an/a 16n/a 461n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32535
PNG
(arylsulfonylpiperazine, 7)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N3O2S/c1-2-14-5-7-15(8-6-14)27(25,26)24-12-10-23(11-13-24)17-16(18(19,20)21)4-3-9-22-17/h3-9H,2,10-13H2,1H3
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n/an/a 18n/a 510n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32540
PNG
(arylsulfonylpiperazine, 12)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClF3N3O2S/c17-12-3-5-13(6-4-12)26(24,25)23-10-8-22(9-11-23)15-14(16(18,19)20)2-1-7-21-15/h1-7H,8-11H2
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n/an/a 14n/a 518n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32574
PNG
(arylsulfonylpiperazine, 46)
Show SMILES C[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m0/s1
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n/an/a 29n/a 527n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32546
PNG
(arylsulfonylpiperazine, 18)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)18-6-3-9-24-19(18)25-10-12-26(13-11-25)29(27,28)17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2
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n/an/a 13n/a 547n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32537
PNG
(arylsulfonylpiperazine, 9)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N3O2S/c1-14(2)15-5-7-16(8-6-15)28(26,27)25-12-10-24(11-13-25)18-17(19(20,21)22)4-3-9-23-18/h3-9,14H,10-13H2,1-2H3
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n/an/a 15n/a 556n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32572
PNG
(arylsulfonylpiperazine, 44)
Show SMILES C[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N3O2S/c1-15-14-26(19-18(21(22,23)24)6-5-11-25-19)12-13-27(15)30(28,29)17-9-7-16(8-10-17)20(2,3)4/h5-11,15H,12-14H2,1-4H3/t15-/m0/s1
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n/an/a 9n/a 569n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32534
PNG
(arylsulfonylpiperazine, 6)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C17H18F3N3O2S/c18-17(19,20)15-7-4-8-21-16(15)22-9-11-23(12-10-22)26(24,25)13-14-5-2-1-3-6-14/h1-8H,9-13H2
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n/an/a 20n/a 574n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32545
PNG
(arylsulfonylpiperazine, 17)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)20-7-4-12-26-21(20)27-13-15-28(16-14-27)31(29,30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-12H,13-16H2
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n/an/a 74n/a 603n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32536
PNG
(arylsulfonylpiperazine, 8)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N3O2S/c1-2-4-15-6-8-16(9-7-15)28(26,27)25-13-11-24(12-14-25)18-17(19(20,21)22)5-3-10-23-18/h3,5-10H,2,4,11-14H2,1H3
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n/an/a 16n/a 613n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32567
PNG
(arylsulfonylpiperazine, 39)
Show SMILES CC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C21H26F3N3O2S/c1-15-14-26(19-18(21(22,23)24)6-5-11-25-19)12-13-27(15)30(28,29)17-9-7-16(8-10-17)20(2,3)4/h5-11,15H,12-14H2,1-4H3
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n/an/a 9n/a 632n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32570
PNG
(arylsulfonylpiperazine, 42)
Show SMILES CC1CN(CC(C)N1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H28F3N3O2S/c1-15-13-27(20-19(22(23,24)25)7-6-12-26-20)14-16(2)28(15)31(29,30)18-10-8-17(9-11-18)21(3,4)5/h6-12,15-16H,13-14H2,1-5H3
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n/an/a 62n/a 638n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32539
PNG
(arylsulfonylpiperazine, 11)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C16H15F4N3O2S/c17-12-3-5-13(6-4-12)26(24,25)23-10-8-22(9-11-23)15-14(16(18,19)20)2-1-7-21-15/h1-7H,8-11H2
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n/an/a 46n/a 667n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32557
PNG
(arylsulfonylpiperazine, 29)
Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H28N2O2S/c1-17-7-5-6-8-20(17)22-13-15-23(16-14-22)26(24,25)19-11-9-18(10-12-19)21(2,3)4/h5-12H,13-16H2,1-4H3
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n/an/a 32n/a 702n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32530
PNG
(arylsulfonylpiperazine, 2)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)14-7-4-8-20-15(14)21-9-11-22(12-10-21)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2
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n/an/a 45n/a 724n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32541
PNG
(arylsulfonylpiperazine, 13)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C17H15F6N3O2S/c18-16(19,20)12-3-5-13(6-4-12)29(27,28)26-10-8-25(9-11-26)15-14(17(21,22)23)2-1-7-24-15/h1-7H,8-11H2
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n/an/a 14n/a 727n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32571
PNG
(arylsulfonylpiperazine, 43)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N3O2S/c1-15-14-26(19-18(21(22,23)24)6-5-11-25-19)12-13-27(15)30(28,29)17-9-7-16(8-10-17)20(2,3)4/h5-11,15H,12-14H2,1-4H3/t15-/m1/s1
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n/an/a 11n/a 762n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32560
PNG
(arylsulfonylpiperazine, 32)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O4S/c1-20(2,3)16-8-10-17(11-9-16)28(26,27)22-14-12-21(13-15-22)18-6-4-5-7-19(18)23(24)25/h4-11H,12-15H2,1-3H3
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n/an/a 37n/a 839n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32543
PNG
(arylsulfonylpiperazine, 15)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O4S/c17-16(18,19)14-2-1-7-20-15(14)21-8-10-22(11-9-21)28(26,27)13-5-3-12(4-6-13)23(24)25/h1-7H,8-11H2
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n/an/a 37n/a 922n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32556
PNG
(arylsulfonylpiperazine, 28)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-20(2,3)16-8-10-17(11-9-16)29(27,28)26-14-12-25(13-15-26)19-7-5-4-6-18(19)21(22,23)24/h4-11H,12-15H2,1-3H3
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n/an/a 15n/a 971n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32544
PNG
(arylsulfonylpiperazine, 16)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)15-2-1-7-22-16(15)23-8-10-24(11-9-23)27(25,26)14-5-3-13(12-21)4-6-14/h1-7H,8-11H2
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n/an/a 50n/a 978n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32569
PNG
(arylsulfonylpiperazine, 41)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1(C)C)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H28F3N3O2S/c1-20(2,3)16-8-10-17(11-9-16)31(29,30)28-14-13-27(15-21(28,4)5)19-18(22(23,24)25)7-6-12-26-19/h6-12H,13-15H2,1-5H3
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n/an/a 58n/a>1.00E+3n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32568
PNG
(arylsulfonylpiperazine, 40)
Show SMILES CCC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H28F3N3O2S/c1-5-17-15-27(20-19(22(23,24)25)7-6-12-26-20)13-14-28(17)31(29,30)18-10-8-16(9-11-18)21(2,3)4/h6-12,17H,5,13-15H2,1-4H3
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n/an/a 17n/a>1.00E+3n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32565
PNG
(arylsulfonylpiperazine, 37)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H28N2O3S/c1-21(2,3)17-5-11-20(12-6-17)27(24,25)23-15-13-22(14-16-23)18-7-9-19(26-4)10-8-18/h5-12H,13-16H2,1-4H3
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n/an/a 234n/a>1.00E+3n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32564
PNG
(arylsulfonylpiperazine, 36)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H25FN2O2S/c1-20(2,3)16-4-10-19(11-5-16)26(24,25)23-14-12-22(13-15-23)18-8-6-17(21)7-9-18/h4-11H,12-15H2,1-3H3
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n/an/a 42n/a>1.00E+3n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32563
PNG
(arylsulfonylpiperazine, 35)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H28N2O2S/c1-17-5-9-19(10-6-17)22-13-15-23(16-14-22)26(24,25)20-11-7-18(8-12-20)21(2,3)4/h5-12H,13-16H2,1-4H3
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n/an/a 390n/a>1.00E+3n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32562
PNG
(arylsulfonylpiperazine, 34)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN2O2S/c1-20(2,3)16-4-10-19(11-5-16)26(24,25)23-14-12-22(13-15-23)18-8-6-17(21)7-9-18/h4-11H,12-15H2,1-3H3
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n/an/a 87n/a>1.00E+3n/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32559
PNG
(arylsulfonylpiperazine, 31)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C20H25FN2O2S/c1-20(2,3)16-8-10-17(11-9-16)26(24,25)23-14-12-22(13-15-23)19-7-5-4-6-18(19)21/h4-11H,12-15H2,1-3H3
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n/an/a 106n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32558
PNG
(arylsulfonylpiperazine, 30)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C20H25ClN2O2S/c1-20(2,3)16-8-10-17(11-9-16)26(24,25)23-14-12-22(13-15-23)19-7-5-4-6-18(19)21/h4-11H,12-15H2,1-3H3
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n/an/a 95n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32555
PNG
(arylsulfonylpiperazine, 27)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C17H18N4O2S/c1-14-4-6-16(7-5-14)24(22,23)21-11-9-20(10-12-21)17-15(13-18)3-2-8-19-17/h2-8H,9-12H2,1H3
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n/an/a 628n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32554
PNG
(arylsulfonylpiperazine, 26)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1[N+]([O-])=O
Show InChI InChI=1S/C16H18N4O4S/c1-13-4-6-14(7-5-13)25(23,24)19-11-9-18(10-12-19)16-15(20(21)22)3-2-8-17-16/h2-8H,9-12H2,1H3
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n/an/a 291n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32553
PNG
(arylsulfonylpiperazine, 25)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1Cl
Show InChI InChI=1S/C16H18ClN3O2S/c1-13-4-6-14(7-5-13)23(21,22)20-11-9-19(10-12-20)16-15(17)3-2-8-18-16/h2-8H,9-12H2,1H3
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n/an/a 117n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32552
PNG
(arylsulfonylpiperazine, 24)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C
Show InChI InChI=1S/C17H21N3O2S/c1-14-5-7-16(8-6-14)23(21,22)20-12-10-19(11-13-20)17-15(2)4-3-9-18-17/h3-9H,10-13H2,1-2H3
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n/an/a 152n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32551
PNG
(arylsulfonylpiperazine, 23)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C16H19N3O2S/c1-14-5-7-15(8-6-14)22(20,21)19-12-10-18(11-13-19)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3
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n/an/a>1.00E+3n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32549
PNG
(arylsulfonylpiperazine, 21)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C17H15F6N3O2S/c18-16(19,20)12-3-1-4-13(11-12)29(27,28)26-9-7-25(8-10-26)15-14(17(21,22)23)5-2-6-24-15/h1-6,11H,7-10H2
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n/an/a 64n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32548
PNG
(arylsulfonylpiperazine, 20)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClF3N3O2S/c17-12-3-1-4-13(11-12)26(24,25)23-9-7-22(8-10-23)15-14(16(18,19)20)5-2-6-21-15/h1-6,11H,7-10H2
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n/an/a 55n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32531
PNG
(phenylcarbonyl piperazine, 3)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)14-7-4-8-21-15(14)22-9-11-23(12-10-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2
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PubMed
n/an/a 262n/a>1.00E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 [24-292,C272S]


(Homo sapiens (Human))
BDBM32533
PNG
(benzyl piperazine, 5)
Show SMILES FC(F)(F)c1cccnc1N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H18F3N3/c18-17(19,20)15-7-4-8-21-16(15)23-11-9-22(10-12-23)13-14-5-2-1-3-6-14/h1-8H,9-13H2
PDB
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Article
PubMed
n/an/a 550n/a 1.93E+3n/an/a7.222



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 18: 3513-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.025
BindingDB Entry DOI: 10.7270/Q2J964Q1
More data for this
Ligand-Target Pair