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Compile Data Set for Download or QSAR

Found 233 hits with Last Name = 'julian' and Initial = 'ld'   
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))
BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334681
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-4-2-17(3-5-18)23(34)33(21-10-11-21)22-12-14-26(15-13-22,16-37-24(32)35)19-6-8-20(28)9-7-19/h2-9,21-22,36H,10-16H2,1H3,(H2,32,35)/t22-,25-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334680
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28/h2-9,19-20,36H,10-16H2,1H3,(H2,32,35)/t20-,25-,26-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243635
PNG
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243635
PNG
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243632
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334673
PNG
(CHEMBL1642593 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334675
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N2O4/c1-25(35,27(28,29)30)19-9-7-18(8-10-19)23(33)32(21-11-12-21)22-13-15-26(16-14-22,17-36-24(31)34)20-5-3-2-4-6-20/h2-10,21-22,35H,11-17H2,1H3,(H2,31,34)/t22-,25-,26-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334677
PNG
(CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-8-6-18(7-9-19)25(36)34(20-10-11-20)21-12-15-27(16-13-21,17-14-24(33)35)22-4-2-3-5-23(22)29/h2-9,20-21,37H,10-17H2,1H3,(H2,33,35)/t21-,26-,27-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243595
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243633
PNG
((S)-N-(trans-4-Phenyl)cyclohexyl-4-(1,1,1-trifluor...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3NO2/c1-24(31,25(26,27)28)20-11-7-19(8-12-20)23(30)29(22-15-16-22)21-13-9-18(10-14-21)17-5-3-2-4-6-17/h2-8,11-12,18,21-22,31H,9-10,13-16H2,1H3/t18-,21-,24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243633
PNG
((S)-N-(trans-4-Phenyl)cyclohexyl-4-(1,1,1-trifluor...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3NO2/c1-24(31,25(26,27)28)20-11-7-19(8-12-20)23(30)29(22-15-16-22)21-13-9-18(10-14-21)17-5-3-2-4-6-17/h2-8,11-12,18,21-22,31H,9-10,13-16H2,1H3/t18-,21-,24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28361
PNG
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334688
PNG
(CHEMBL1642592 | N-((4S)-4-(2-amino-2-oxoethyl)-4-p...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC(N)=O)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N2O3/c1-25(35,27(28,29)30)19-9-7-18(8-10-19)24(34)32(21-11-12-21)22-13-15-26(16-14-22,17-23(31)33)20-5-3-2-4-6-20/h2-10,21-22,35H,11-17H2,1H3,(H2,31,33)/t22-,25-,26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334686
PNG
(CHEMBL1642590 | N-((4S)-4-(cyanomethyl)-4-phenylcy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC#N)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O2/c1-25(34,27(28,29)30)20-9-7-19(8-10-20)24(33)32(22-11-12-22)23-13-15-26(16-14-23,17-18-31)21-5-3-2-4-6-21/h2-10,22-23,34H,11-17H2,1H3/t23-,25-,26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248133
PNG
(CHEMBL518644 | N-((1s,4R)-4-cyano-4-cyclopropylcyc...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)C1CC1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N2O2/c1-21(30,23(24,25)26)16-4-2-15(3-5-16)20(29)28(18-8-9-18)19-10-12-22(14-27,13-11-19)17-6-7-17/h2-5,17-19,30H,6-13H2,1H3/t19-,21-,22-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50413277
PNG
(CHEMBL2021496)
Show SMILES C[C@@](O)(c1ccc(cc1)C(=C)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O/c1-17(18-6-10-20(11-7-18)24(2,31)25(26,27)28)30(22-14-15-22)21-12-8-19(9-13-21)23-5-3-4-16-29-23/h3-7,10-11,16,19,21-22,31H,1,8-9,12-15H2,2H3/t19-,21+,24-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248020
PNG
(CHEMBL455443 | N-cyclopropyl-N-((1s,4R)-4-(pyridin...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20+,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50413276
PNG
(CHEMBL2021495)
Show SMILES C[C@@](O)(c1ccc(cc1)C(=C)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O/c1-17(18-6-10-20(11-7-18)24(2,31)25(26,27)28)30(22-14-15-22)21-12-8-19(9-13-21)23-5-3-4-16-29-23/h3-7,10-11,16,19,21-22,31H,1,8-9,12-15H2,2H3/t19-,21-,24-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248067
PNG
(CHEMBL517760 | N-((1s,4R)-4-cyano-4-phenylcyclohex...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2/c1-24(33,26(27,28)29)19-9-7-18(8-10-19)23(32)31(21-11-12-21)22-13-15-25(17-30,16-14-22)20-5-3-2-4-6-20/h2-10,21-22,33H,11-16H2,1H3/t22-,24-,25-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28361
PNG
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334674
PNG
(CHEMBL1642594 | N-cyclopropyl-N-((4R)-4-(methylsul...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CNS(C)(=O)=O)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H33F3N2O4S/c1-25(34,27(28,29)30)20-10-8-19(9-11-20)24(33)32(22-12-13-22)23-14-16-26(17-15-23,18-31-37(2,35)36)21-6-4-3-5-7-21/h3-11,22-23,31,34H,12-18H2,1-2H3/t23-,25-,26-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243595
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334684
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1cscn1)C(F)(F)F
Show InChI InChI=1S/C24H28F3N3O4S/c1-22(33,24(25,26)27)16-4-2-15(3-5-16)20(31)30(17-6-7-17)18-8-10-23(11-9-18,13-34-21(28)32)19-12-35-14-29-19/h2-5,12,14,17-18,33H,6-11,13H2,1H3,(H2,28,32)/t18-,22-,23-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334678
PNG
(CHEMBL1642598 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-4-2-18(3-5-19)25(36)34(22-10-11-22)23-12-15-27(16-13-23,17-14-24(33)35)20-6-8-21(29)9-7-20/h2-9,22-23,37H,10-17H2,1H3,(H2,33,35)/t23-,26-,27-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334672
PNG
(CHEMBL1642589 | N-cyclopropyl-N-((4S)-4-(2-hydroxy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCO)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H32F3NO3/c1-25(34,27(28,29)30)20-9-7-19(8-10-20)24(33)31(22-11-12-22)23-13-15-26(16-14-23,17-18-32)21-5-3-2-4-6-21/h2-10,22-23,32,34H,11-18H2,1H3/t23-,25-,26-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243672
PNG
(1,1,1-trifluoro-2-(4-((S)-2-methylpiperidin-1-ylsu...)
Show SMILES C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C15H20F3NO3S/c1-11-5-3-4-10-19(11)23(21,22)13-8-6-12(7-9-13)14(2,20)15(16,17)18/h6-9,11,20H,3-5,10H2,1-2H3/t11-,14?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334676
PNG
(CHEMBL1642596 | N-((4R)-4-(acetamidomethyl)-4-phen...)
Show SMILES CC(=O)NC[C@@]1(CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H33F3N2O3/c1-19(34)32-18-27(22-6-4-3-5-7-22)16-14-24(15-17-27)33(23-12-13-23)25(35)20-8-10-21(11-9-20)26(2,36)28(29,30)31/h3-11,23-24,36H,12-18H2,1-2H3,(H,32,34)/t24-,26-,27-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334685
PNG
(CHEMBL1642588 | N-cyclopropyl-N-((4R)-4-(hydroxyme...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CO)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H30F3NO3/c1-24(33,26(27,28)29)19-9-7-18(8-10-19)23(32)30(21-11-12-21)22-13-15-25(17-31,16-14-22)20-5-3-2-4-6-20/h2-10,21-22,31,33H,11-17H2,1H3/t22-,24-,25-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334683
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C26H29F4N3O4/c1-24(36,26(28,29)30)17-4-2-16(3-5-17)22(34)33(19-7-8-19)20-10-12-25(13-11-20,15-37-23(31)35)21-9-6-18(27)14-32-21/h2-6,9,14,19-20,36H,7-8,10-13,15H2,1H3,(H2,31,35)/t20-,24-,25-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243632
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243596
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(CC(F)(F)F)C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C18H21F6NO2/c1-16(27,18(22,23)24)13-9-7-12(8-10-13)15(26)25(11-17(19,20)21)14-5-3-2-4-6-14/h7-10,14,27H,2-6,11H2,1H3/t16-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28361
PNG
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50413278
PNG
(CHEMBL2021499)
Show SMILES C[C@@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C26H26F4N2O2/c1-24(34,26(28,29)30)18-4-2-17(3-5-18)23(33)32(21-10-11-21)22-12-14-25(16-31,15-13-22)19-6-8-20(27)9-7-19/h2-9,21-22,34H,10-15H2,1H3/t22-,24-,25-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243635
PNG
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334682
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N3O4/c1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21/h2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34)/t20-,24-,25-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334673
PNG
(CHEMBL1642593 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis...


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334687
PNG
(CHEMBL1642591 | N-((4S)-4-(2-cyanoethyl)-4-phenylc...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC#N)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O2/c1-26(35,28(29,30)31)21-10-8-20(9-11-21)25(34)33(23-12-13-23)24-14-17-27(18-15-24,16-5-19-32)22-6-3-2-4-7-22/h2-4,6-11,23-24,35H,5,12-18H2,1H3/t24-,26-,27-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243671
PNG
((S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluor...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F
Show InChI InChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14-,15-,18-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248210
PNG
(CHEMBL473347 | N-cyclopropyl-N-((1s,4R)-4-(cyclopr...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](O)(CC2CC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H30F3NO3/c1-21(29,23(24,25)26)17-6-4-16(5-7-17)20(28)27(18-8-9-18)19-10-12-22(30,13-11-19)14-15-2-3-15/h4-7,15,18-19,29-30H,2-3,8-14H2,1H3/t19-,21-,22+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334675
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N2O4/c1-25(35,27(28,29)30)19-9-7-18(8-10-19)23(33)32(21-11-12-21)22-13-15-26(16-14-22,17-36-24(31)34)20-5-3-2-4-6-20/h2-10,21-22,35H,11-17H2,1H3,(H2,31,34)/t22-,25-,26-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis...


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248066
PNG
(CHEMBL463031 | N-((1s,4R)-4-(4-cyanophenyl)cyclohe...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22+,25-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334680
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28/h2-9,19-20,36H,10-16H2,1H3,(H2,32,35)/t20-,25-,26-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis...


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28361
PNG
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248209
PNG
(CHEMBL515717 | N-cyclopropyl-N-((1s,4R)-4-hydroxy-...)
Show SMILES CC(C)[C@@]1(O)CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO3/c1-14(2)21(29)12-10-18(11-13-21)26(17-8-9-17)19(27)15-4-6-16(7-5-15)20(3,28)22(23,24)25/h4-7,14,17-18,28-29H,8-13H2,1-3H3/t18-,20-,21+/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...


Bioorg Med Chem Lett 19: 1446-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243634
PNG
((S)-N-(cis-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3NO2/c1-24(31,25(26,27)28)20-11-7-19(8-12-20)23(30)29(22-15-16-22)21-13-9-18(10-14-21)17-5-3-2-4-6-17/h2-8,11-12,18,21-22,31H,9-10,13-16H2,1H3/t18-,21+,24-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243671
PNG
((S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluor...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F
Show InChI InChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14-,15-,18-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334676
PNG
(CHEMBL1642596 | N-((4R)-4-(acetamidomethyl)-4-phen...)
Show SMILES CC(=O)NC[C@@]1(CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H33F3N2O3/c1-19(34)32-18-27(22-6-4-3-5-7-22)16-14-24(15-17-27)33(23-12-13-23)25(35)20-8-10-21(11-9-20)26(2,36)28(29,30)31/h3-11,23-24,36H,12-18H2,1-2H3,(H,32,34)/t24-,26-,27-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis...


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
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