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Compile Data Set for Download or QSAR

Found 100 hits of ec50 data for polymerid = 1406,1408,2285,4019,4020   
Target
(Institution)
LigandTarget
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))
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382820
PNG
(CHEMBL2023585)
Show SMILES CN(C1CCCCCC1)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H31ClN4O4S/c1-25(18-6-4-2-3-5-7-18)22(29)26-12-10-16(11-13-26)15-27-21(28)24-19-9-8-17(23)14-20(19)32(27,30)31/h8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,24,28)
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n/an/an/an/a 0.410n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382817
PNG
(CHEMBL2023429)
Show SMILES Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H28ClN3O4S/c26-19-10-13-22-23(15-19)34(32,33)28(25(31)27-22)16-17-6-5-7-18(14-17)24(30)29(21-11-12-21)20-8-3-1-2-4-9-20/h5-7,10,13-15,20-21H,1-4,8-9,11-12,16H2,(H,27,31)
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n/an/an/an/a 1n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382822
PNG
(CHEMBL2023587)
Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
Show InChI InChI=1S/C25H33ClN4O4S/c1-28(23-18-9-16-8-17(11-18)12-19(23)10-16)25(32)29-6-4-15(5-7-29)14-30-24(31)27-21-3-2-20(26)13-22(21)35(30,33)34/h2-3,13,15-19,23H,4-12,14H2,1H3,(H,27,31)
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n/an/an/an/a 2n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382816
PNG
(CHEMBL2023427)
Show SMILES Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H26ClN3O4S/c25-18-9-12-21-22(14-18)33(31,32)27(24(30)26-21)15-16-5-4-6-17(13-16)23(29)28(20-10-11-20)19-7-2-1-3-8-19/h4-6,9,12-14,19-20H,1-3,7-8,10-11,15H2,(H,26,30)
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n/an/an/an/a 3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382818
PNG
(CHEMBL2023430)
Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1
Show InChI InChI=1S/C26H28ClN3O4S/c1-29(24-19-9-16-7-17(11-19)12-20(24)10-16)25(31)18-4-2-3-15(8-18)14-30-26(32)28-22-6-5-21(27)13-23(22)35(30,33)34/h2-6,8,13,16-17,19-20,24H,7,9-12,14H2,1H3,(H,28,32)
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n/an/an/an/a 4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382830
PNG
(CHEMBL2023428)
Show SMILES CN(C1CCCCCC1)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1
Show InChI InChI=1S/C23H26ClN3O4S/c1-26(19-9-4-2-3-5-10-19)22(28)17-8-6-7-16(13-17)15-27-23(29)25-20-12-11-18(24)14-21(20)32(27,30)31/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,25,29)
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n/an/an/an/a 4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50185127
PNG
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382821
PNG
(CHEMBL2023586)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H33ClN4O4S/c25-18-7-10-21-22(15-18)34(32,33)28(23(30)26-21)16-17-11-13-27(14-12-17)24(31)29(20-8-9-20)19-5-3-1-2-4-6-19/h7,10,15,17,19-20H,1-6,8-9,11-14,16H2,(H,26,30)
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n/an/an/an/a 10n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50185127
PNG
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382829
PNG
(CHEMBL2023425)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H26ClN3O4S/c26-20-5-6-21-22(10-20)34(32,33)29(24(31)27-21)14-15-1-3-19(4-2-15)23(30)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18H,7-9,11-14H2,(H,27,31)(H,28,30)
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n/an/an/an/a 14n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382831
PNG
(CHEMBL2023431)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)NC3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C21H29ClN4O4S/c22-16-7-8-18-19(13-16)31(29,30)26(21(28)24-18)14-15-9-11-25(12-10-15)20(27)23-17-5-3-1-2-4-6-17/h7-8,13,15,17H,1-6,9-12,14H2,(H,23,27)(H,24,28)
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n/an/an/an/a 17n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382820
PNG
(CHEMBL2023585)
Show SMILES CN(C1CCCCCC1)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H31ClN4O4S/c1-25(18-6-4-2-3-5-7-18)22(29)26-12-10-16(11-13-26)15-27-21(28)24-19-9-8-17(23)14-20(19)32(27,30)31/h8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,24,28)
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n/an/an/an/a 21n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382819
PNG
(CHEMBL2023584)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H31ClN4O4S/c24-17-6-9-20-21(14-17)33(31,32)27(22(29)25-20)15-16-10-12-26(13-11-16)23(30)28(19-7-8-19)18-4-2-1-3-5-18/h6,9,14,16,18-19H,1-5,7-8,10-13,15H2,(H,25,29)
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n/an/an/an/a 37n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382829
PNG
(CHEMBL2023425)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H26ClN3O4S/c26-20-5-6-21-22(10-20)34(32,33)29(24(31)27-21)14-15-1-3-19(4-2-15)23(30)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18H,7-9,11-14H2,(H,27,31)(H,28,30)
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n/an/an/an/a 47n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

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
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)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382815
PNG
(CHEMBL2023426)
Show SMILES CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H28ClN3O4S/c1-29(26-12-17-8-18(13-26)10-19(9-17)14-26)24(31)20-4-2-16(3-5-20)15-30-25(32)28-22-7-6-21(27)11-23(22)35(30,33)34/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)
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n/an/an/an/a 55n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382828
PNG
(CHEMBL2023424)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H28ClN3O4S/c26-19-11-14-22-23(15-19)34(32,33)28(25(31)27-22)16-17-7-9-18(10-8-17)24(30)29(21-12-13-21)20-5-3-1-2-4-6-20/h7-11,14-15,20-21H,1-6,12-13,16H2,(H,27,31)
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n/an/an/an/a 55n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
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/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382816
PNG
(CHEMBL2023427)
Show SMILES Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H26ClN3O4S/c25-18-9-12-21-22(14-18)33(31,32)27(24(30)26-21)15-16-5-4-6-17(13-16)23(29)28(20-10-11-20)19-7-2-1-3-8-19/h4-6,9,12-14,19-20H,1-3,7-8,10-11,15H2,(H,26,30)
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n/an/an/an/a 58n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382826
PNG
(CHEMBL2023422)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H26ClN3O4S/c25-18-10-13-21-22(14-18)33(31,32)27(24(30)26-21)15-16-6-8-17(9-7-16)23(29)28(20-11-12-20)19-4-2-1-3-5-19/h6-10,13-14,19-20H,1-5,11-12,15H2,(H,26,30)
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n/an/an/an/a 60n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382818
PNG
(CHEMBL2023430)
Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1
Show InChI InChI=1S/C26H28ClN3O4S/c1-29(24-19-9-16-7-17(11-19)12-20(24)10-16)25(31)18-4-2-3-15(8-18)14-30-26(32)28-22-6-5-21(27)13-23(22)35(30,33)34/h2-6,8,13,16-17,19-20,24H,7,9-12,14H2,1H3,(H,28,32)
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n/an/an/an/a 69n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382815
PNG
(CHEMBL2023426)
Show SMILES CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H28ClN3O4S/c1-29(26-12-17-8-18(13-26)10-19(9-17)14-26)24(31)20-4-2-16(3-5-20)15-30-25(32)28-22-7-6-21(27)11-23(22)35(30,33)34/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)
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n/an/an/an/a 70n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382828
PNG
(CHEMBL2023424)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H28ClN3O4S/c26-19-11-14-22-23(15-19)34(32,33)28(25(31)27-22)16-17-7-9-18(10-8-17)24(30)29(21-12-13-21)20-5-3-1-2-4-6-20/h7-11,14-15,20-21H,1-6,12-13,16H2,(H,27,31)
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n/an/an/an/a 84n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382827
PNG
(CHEMBL2023423)
Show SMILES CN(C1CCCCCC1)C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C23H26ClN3O4S/c1-26(19-6-4-2-3-5-7-19)22(28)17-10-8-16(9-11-17)15-27-23(29)25-20-13-12-18(24)14-21(20)32(27,30)31/h8-14,19H,2-7,15H2,1H3,(H,25,29)
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n/an/an/an/a 90n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382819
PNG
(CHEMBL2023584)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H31ClN4O4S/c24-17-6-9-20-21(14-17)33(31,32)27(22(29)25-20)15-16-10-12-26(13-11-16)23(30)28(19-7-8-19)18-4-2-1-3-5-18/h6,9,14,16,18-19H,1-5,7-8,10-13,15H2,(H,25,29)
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n/an/an/an/a 121n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382824
PNG
(CHEMBL2023421)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C22H24ClN3O4S/c23-17-11-12-19-20(13-17)31(29,30)26(22(28)25-19)14-15-7-9-16(10-8-15)21(27)24-18-5-3-1-2-4-6-18/h7-13,18H,1-6,14H2,(H,24,27)(H,25,28)
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n/an/an/an/a 145n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382822
PNG
(CHEMBL2023587)
Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
Show InChI InChI=1S/C25H33ClN4O4S/c1-28(23-18-9-16-8-17(11-18)12-19(23)10-16)25(32)29-6-4-15(5-7-29)14-30-24(31)27-21-3-2-20(26)13-22(21)35(30,33)34/h2-3,13,15-19,23H,4-12,14H2,1H3,(H,27,31)
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n/an/an/an/a 158n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382825
PNG
(CHEMBL2021943)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H26ClN3O4S/c24-18-12-13-20-21(14-18)32(30,31)27(23(29)26-20)15-16-8-10-17(11-9-16)22(28)25-19-6-4-2-1-3-5-7-19/h8-14,19H,1-7,15H2,(H,25,28)(H,26,29)
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n/an/an/an/a 180n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382826
PNG
(CHEMBL2023422)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H26ClN3O4S/c25-18-10-13-21-22(14-18)33(31,32)27(24(30)26-21)15-16-6-8-17(9-7-16)23(29)28(20-11-12-20)19-4-2-1-3-5-19/h6-10,13-14,19-20H,1-5,11-12,15H2,(H,26,30)
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n/an/an/an/a 185n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382827
PNG
(CHEMBL2023423)
Show SMILES CN(C1CCCCCC1)C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C23H26ClN3O4S/c1-26(19-6-4-2-3-5-7-19)22(28)17-10-8-16(9-11-17)15-27-23(29)25-20-13-12-18(24)14-21(20)32(27,30)31/h8-14,19H,2-7,15H2,1H3,(H,25,29)
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n/an/an/an/a 210n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

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)

More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(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)

More data for this
Ligand-Target Pair
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/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382817
PNG
(CHEMBL2023429)
Show SMILES Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H28ClN3O4S/c26-19-10-13-22-23(15-19)34(32,33)28(25(31)27-22)16-17-6-5-7-18(14-17)24(30)29(21-11-12-21)20-8-3-1-2-4-9-20/h5-7,10,13-15,20-21H,1-4,8-9,11-12,16H2,(H,27,31)
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n/an/an/an/a 258n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50382831
PNG
(CHEMBL2023431)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)NC3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C21H29ClN4O4S/c22-16-7-8-18-19(13-16)31(29,30)26(21(28)24-18)14-15-9-11-25(12-10-15)20(27)23-17-5-3-1-2-4-6-17/h7-8,13,15,17H,1-6,9-12,14H2,(H,23,27)(H,24,28)
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n/an/an/an/a 283n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(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/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)

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
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)

More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382830
PNG
(CHEMBL2023428)
Show SMILES CN(C1CCCCCC1)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1
Show InChI InChI=1S/C23H26ClN3O4S/c1-26(19-9-4-2-3-5-10-19)22(28)17-8-6-7-16(13-17)15-27-23(29)25-20-12-11-18(24)14-21(20)32(27,30)31/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,25,29)
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n/an/an/an/a 401n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)

More data for this
Ligand-Target Pair
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