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16 molecules are shown

Wt: 317.4
BDBM32551
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Wt: 426.4
BDBM32556
Wt: 372.5
BDBM32557
Wt: 392.9
BDBM32558
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Wt: 376.4
BDBM32559
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Wt: 403.4
BDBM32560
Wt: 403.4
BDBM32561
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Wt: 392.9
BDBM32562
Wt: 372.5
BDBM32563
Wt: 376.4
BDBM32564
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Wt: 388.5
BDBM32565
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Wt: 441.5
BDBM32567
Wt: 441.5
BDBM32571
Wt: 441.5
BDBM32572
Wt: 417.5
BDBM32573
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 32551,32556,32557,32558,32559,32560,32561,32562,32563,32564,32565,32567,32571,32572,32573   
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 (11-beta-HSD1)


(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


(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
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/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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 (11-beta-HSD1)


(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
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 (11-beta-HSD1)


(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
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 (11-beta-HSD1)


(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
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


(Mus musculus (mouse))
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 133n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 161n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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>1.00E+3n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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>1.00E+3n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 186n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 4n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
BDBM32571
PNG
(arylsulfonylpiperazine, 43)
Show SMILES C[C@@H]1CN(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/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
BDBM32572
PNG
(arylsulfonylpiperazine, 44)
Show SMILES C[C@H]1CN(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/t15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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
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 53n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 73n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 204n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 184n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(Mus musculus (mouse))
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 98n/an/an/an/an/an/a



Amgen Inc.



Assay Description
Enzyme assays were performed using purified recombinant mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine en...


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


(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
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 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(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)