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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'cripps' and Initial = 'sj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29864
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 26)
Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
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<1<-50.9n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29863
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 25)
Show SMILES CC(C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C21H19N3O2S/c1-15(2)20-4-3-5-21(23-20)24-27(25,26)19-12-10-18(11-13-19)17-8-6-16(14-22)7-9-17/h3-13,15H,1-2H3,(H,23,24)
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1.70 -49.6n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29862
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 24)
Show SMILES O=S(=O)(Nc1cccc(n1)C1CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-15-4-6-16(7-5-15)17-10-12-19(13-11-17)27(25,26)24-21-3-1-2-20(23-21)18-8-9-18/h1-7,10-13,18H,8-9H2,(H,23,24)
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1.90 -49.3n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29860
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 22)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H15N3O2S/c1-14-3-2-4-19(21-14)22-25(23,24)18-11-9-17(10-12-18)16-7-5-15(13-20)6-8-16/h2-12H,1H3,(H,21,22)
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4 -47.5n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29866
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 28)
Show SMILES CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24)
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4.80 -47.0n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29858
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 20)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H15ClN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21)
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5.80 -46.5n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29861
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 23)
Show SMILES CCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C20H17N3O2S/c1-2-18-4-3-5-20(22-18)23-26(24,25)19-12-10-17(11-13-19)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H,22,23)
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6.60 -46.2n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29865
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 27)
Show SMILES CNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H16N4O2S/c1-21-18-3-2-4-19(22-18)23-26(24,25)17-11-9-16(10-12-17)15-7-5-14(13-20)6-8-15/h2-12H,1H3,(H2,21,22,23)
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9.80 -45.3n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29857
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 19)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C18H15FN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21)
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20 -43.5n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29856
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 18)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H16N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
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48 -41.4n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29859
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 21)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C19H18N2O2S/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)24(22,23)21-19-5-3-4-15(2)20-19/h3-13H,1-2H3,(H,20,21)
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62 -40.7n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29854
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 16)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)n1
Show InChI InChI=1S/C16H14N2O2S/c1-12-5-4-8-16(17-12)18-21(19,20)15-10-9-13-6-2-3-7-14(13)11-15/h2-11H,1H3,(H,17,18)
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84 -40.0n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29850
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 12)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C13H11F3N2O2S/c1-9-3-2-4-12(17-9)18-21(19,20)11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3,(H,17,18)
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108 -39.4n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29849
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 11)
Show SMILES Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C13H13ClN2O2S/c1-9-5-3-8-13(15-9)16-19(17,18)12-7-4-6-11(14)10(12)2/h3-8H,1-2H3,(H,15,16)
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169 -38.3n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29843
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 3)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCCC2)n1
Show InChI InChI=1S/C19H22ClN3O3S/c1-14-16(20)8-6-9-17(14)27(25,26)22-18-10-5-7-15(21-18)13-19(24)23-11-3-2-4-12-23/h5-10H,2-4,11-13H2,1H3,(H,21,22)
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169 -38.3n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29841
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 1)
Show SMILES CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)
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287 -37.0n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432931
PNG
(CHEMBL2377215)
Show SMILES C[C@H](O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
Show InChI InChI=1S/C20H17N3O3S/c1-14(24)19-3-2-4-20(22-19)23-27(25,26)18-11-9-17(10-12-18)16-7-5-15(13-21)6-8-16/h2-12,14,24H,1H3,(H,22,23)/t14-/m0/s1
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n/an/an/an/a 327n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432933
PNG
(CHEMBL2377212)
Show SMILES OCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H15N3O3S/c20-12-14-4-6-15(7-5-14)16-8-10-18(11-9-16)26(24,25)22-19-3-1-2-17(13-23)21-19/h1-11,23H,13H2,(H,21,22)
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n/an/an/an/a 58n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29866
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 28)
Show SMILES CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24)
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n/an/an/an/a 10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432934
PNG
(CHEMBL2377211)
Show SMILES Cc1cc(N)nc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H16N4O2S/c1-13-10-18(21)22-19(11-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-11H,1H3,(H3,21,22,23)
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n/an/an/an/a 49n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432935
PNG
(CHEMBL2377210)
Show SMILES O=S(=O)(Nc1ccc2ncccc2n1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H14N4O2S/c22-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28(26,27)25-21-12-11-19-20(24-21)2-1-13-23-19/h1-13H,(H,24,25)
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n/an/an/an/a 72n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432936
PNG
(CHEMBL2377209)
Show SMILES O=S(=O)(Nc1ccc2ccccc2n1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H15N3O2S/c23-15-16-5-7-17(8-6-16)18-9-12-20(13-10-18)28(26,27)25-22-14-11-19-3-1-2-4-21(19)24-22/h1-14H,(H,24,25)
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n/an/an/an/a 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432937
PNG
(CHEMBL2377208)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)ccc1F
Show InChI InChI=1S/C19H14FN3O2S/c1-13-18(20)10-11-19(22-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-21)3-5-15/h2-11H,1H3,(H,22,23)
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n/an/an/an/a 194n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432938
PNG
(CHEMBL2377207)
Show SMILES Cc1ccc(F)c(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H14FN3O2S/c1-13-2-11-18(20)19(22-13)23-26(24,25)17-9-7-16(8-10-17)15-5-3-14(12-21)4-6-15/h2-11H,1H3,(H,22,23)
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n/an/an/an/a 1.98E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432939
PNG
(CHEMBL2377206)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1C
Show InChI InChI=1S/C20H17N3O2S/c1-14-3-12-20(22-15(14)2)23-26(24,25)19-10-8-18(9-11-19)17-6-4-16(13-21)5-7-17/h3-12H,1-2H3,(H,22,23)
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n/an/an/an/a 213n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432940
PNG
(CHEMBL2377205)
Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C20H17N3O2S/c1-14-11-15(2)22-20(12-14)23-26(24,25)19-9-7-18(8-10-19)17-5-3-16(13-21)4-6-17/h3-12H,1-2H3,(H,22,23)
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n/an/an/an/a 21n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432941
PNG
(CHEMBL2377204)
Show SMILES COc1ccc(C)nc1NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H17N3O3S/c1-14-3-12-19(26-2)20(22-14)23-27(24,25)18-10-8-17(9-11-18)16-6-4-15(13-21)5-7-16/h3-12H,1-2H3,(H,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29864
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 26)
Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
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n/an/an/an/a 5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432932
PNG
(CHEMBL2377214)
Show SMILES C[C@@H](O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
Show InChI InChI=1S/C20H17N3O3S/c1-14(24)19-3-2-4-20(22-19)23-27(25,26)18-11-9-17(10-12-18)16-7-5-15(13-21)6-8-16/h2-12,14,24H,1H3,(H,22,23)/t14-/m1/s1
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n/an/an/an/a 184n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432931
PNG
(CHEMBL2377215)
Show SMILES C[C@H](O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
Show InChI InChI=1S/C20H17N3O3S/c1-14(24)19-3-2-4-20(22-19)23-27(25,26)18-11-9-17(10-12-18)16-7-5-15(13-21)6-8-16/h2-12,14,24H,1H3,(H,22,23)/t14-/m0/s1
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n/an/an/an/a 1.16E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432930
PNG
(CHEMBL2377216)
Show SMILES CC[C@@H](O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
Show InChI InChI=1S/C21H19N3O3S/c1-2-20(25)19-4-3-5-21(23-19)24-28(26,27)18-12-10-17(11-13-18)16-8-6-15(14-22)7-9-16/h3-13,20,25H,2H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432929
PNG
(CHEMBL2377217)
Show SMILES CC[C@H](O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
Show InChI InChI=1S/C21H19N3O3S/c1-2-20(25)19-4-3-5-21(23-19)24-28(26,27)18-12-10-17(11-13-18)16-8-6-15(14-22)7-9-16/h3-13,20,25H,2H2,1H3,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 936n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432928
PNG
(CHEMBL2377218)
Show SMILES OCCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C20H17N3O3S/c21-14-15-4-6-16(7-5-15)17-8-10-19(11-9-17)27(25,26)23-20-3-1-2-18(22-20)12-13-24/h1-11,24H,12-13H2,(H,22,23)
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n/an/an/an/a 423n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50432927
PNG
(CHEMBL2377219)
Show SMILES O=S(=O)(Nc1ccccn1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H13N3O2S/c19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)24(22,23)21-18-3-1-2-12-20-18/h1-12H,(H,20,21)
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n/an/an/an/a 604n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29855
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 17)
Show SMILES Cc1cccc(NS(=O)(=O)c2cccc3ccccc23)n1
Show InChI InChI=1S/C16H14N2O2S/c1-12-6-4-11-16(17-12)18-21(19,20)15-10-5-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H,17,18)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29853
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 15)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)n1
Show InChI InChI=1S/C16H20N2O2S/c1-12-6-5-7-15(17-12)18-21(19,20)14-10-8-13(9-11-14)16(2,3)4/h5-11H,1-4H3,(H,17,18)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29852
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 14)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C13H14N2O3S/c1-10-4-3-5-13(14-10)15-19(16,17)12-8-6-11(18-2)7-9-12/h3-9H,1-2H3,(H,14,15)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29851
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 13)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
Show InChI InChI=1S/C13H11F3N2O2S/c1-9-5-4-8-12(17-9)18-21(19,20)11-7-3-2-6-10(11)13(14,15)16/h2-8H,1H3,(H,17,18)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29848
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 8)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(O)=O)n1
Show InChI InChI=1S/C14H13ClN2O4S/c1-9-11(15)5-3-6-12(9)22(20,21)17-13-7-2-4-10(16-13)8-14(18)19/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29847
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 7)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCC2)n1
Show InChI InChI=1S/C18H20ClN3O3S/c1-13-15(19)7-5-8-16(13)26(24,25)21-17-9-4-6-14(20-17)12-18(23)22-10-2-3-11-22/h4-9H,2-3,10-12H2,1H3,(H,20,21)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29846
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 6)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)n1
Show InChI InChI=1S/C25H27ClN4O3S/c1-19-22(26)10-6-11-23(19)34(32,33)28-24-12-5-9-21(27-24)17-25(31)30-15-13-29(14-16-30)18-20-7-3-2-4-8-20/h2-12H,13-18H2,1H3,(H,27,28)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29845
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 5)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCSCC2)n1
Show InChI InChI=1S/C18H20ClN3O3S2/c1-13-15(19)5-3-6-16(13)27(24,25)21-17-7-2-4-14(20-17)12-18(23)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,20,21)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29844
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 4)
Show SMILES CN1CCN(CC1)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C19H23ClN4O3S/c1-14-16(20)6-4-7-17(14)28(26,27)22-18-8-3-5-15(21-18)13-19(25)24-11-9-23(2)10-12-24/h3-8H,9-13H2,1-2H3,(H,21,22)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29860
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 22)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H15N3O2S/c1-14-3-2-4-19(21-14)22-25(23,24)18-11-9-17(10-12-18)16-7-5-15(13-20)6-8-16/h2-12H,1H3,(H,21,22)
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n/an/an/an/a 53n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29842
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 2)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCOCC2)n1
Show InChI InChI=1S/C18H20ClN3O4S/c1-13-15(19)5-3-6-16(13)27(24,25)21-17-7-2-4-14(20-17)12-18(23)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,20,21)
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n/an/an/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair