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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 293.4
BDBM50239276
Purchase
Wt: 271.4
BDBM50239401
Purchase
Wt: 285.4
BDBM50340809
Wt: 267.3
BDBM50377885
Wt: 295.4
BDBM50377865
Wt: 295.4
BDBM50377866
Wt: 299.3
BDBM50377867
Wt: 299.3
BDBM50377868
Wt: 281.3
BDBM50377869
Wt: 295.4
BDBM50377874
Wt: 281.3
BDBM50377878
Wt: 295.4
BDBM50377880
Wt: 299.3
BDBM50377881
Wt: 301.8
BDBM50377886
Wt: 288.4
BDBM50436974
Displayed 1 to 15 (of 284 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 78 hits in this display   
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))
BDBM50377880
PNG
(CHEMBL404436)
Show SMILES Cc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-9-5-6-10-16(15)19(12-8-13-19)18-21-20-17-11-4-2-3-7-14-22(17)18/h5-6,9-10H,2-4,7-8,11-14H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377881
PNG
(CHEMBL256720)
Show SMILES Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-5-4-8-14(15)18(11-7-12-18)17-21-20-16-10-3-1-2-6-13-22(16)17/h4-5,8-9H,1-3,6-7,10-13H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377869
PNG
(CHEMBL402552)
Show SMILES C1CC(C1)(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C18H23N3/c1-2-7-14-21-16(11-6-1)19-20-17(21)18(12-8-13-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377878
PNG
(CHEMBL258447)
Show SMILES Cc1ccc(cc1)C1(CC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H23N3/c1-14-7-9-15(10-8-14)18(11-12-18)17-20-19-16-6-4-2-3-5-13-21(16)17/h7-10H,2-6,11-13H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377868
PNG
(CHEMBL255660)
Show SMILES Fc1cccc(c1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-8-5-7-14(13-15)18(10-6-11-18)17-21-20-16-9-3-1-2-4-12-22(16)17/h5,7-8,13H,1-4,6,9-12H2
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377874
PNG
(CHEMBL402386)
Show SMILES C1CCC(C1)(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C19H25N3/c1-2-9-15-22-17(12-6-1)20-21-18(22)19(13-7-8-14-19)16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377865
PNG
(CHEMBL404435)
Show SMILES Cc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-8-10-16(11-9-15)19(12-6-13-19)18-21-20-17-7-4-2-3-5-14-22(17)18/h8-11H,2-7,12-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377866
PNG
(CHEMBL257148)
Show SMILES Cc1cccc(c1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-8-6-9-16(14-15)19(11-7-12-19)18-21-20-17-10-4-2-3-5-13-22(17)18/h6,8-9,14H,2-5,7,10-13H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377886
PNG
(CHEMBL258446)
Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C17H20ClN3/c18-14-8-6-13(7-9-14)17(10-11-17)16-20-19-15-5-3-1-2-4-12-21(15)16/h6-9H,1-5,10-12H2
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377867
PNG
(CHEMBL256514)
Show SMILES Fc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-7-14(8-10-15)18(11-5-12-18)17-21-20-16-6-3-1-2-4-13-22(16)17/h7-10H,1-6,11-13H2
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Eur J Med Chem 65: 403-14 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to cortisol by SPA assay


J Med Chem 51: 4851-7 (2008)


Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a 7.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377869
PNG
(CHEMBL402552)
Show SMILES C1CC(C1)(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C18H23N3/c1-2-7-14-21-16(11-6-1)19-20-17(21)18(12-8-13-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50377885
PNG
(CHEMBL402995)
Show SMILES C1CC1(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C17H21N3/c1-2-7-13-20-15(10-6-1)18-19-16(20)17(11-12-17)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377874
PNG
(CHEMBL402386)
Show SMILES C1CCC(C1)(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C19H25N3/c1-2-9-15-22-17(12-6-1)20-21-18(22)19(13-7-8-14-19)16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377881
PNG
(CHEMBL256720)
Show SMILES Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-5-4-8-14(15)18(11-7-12-18)17-21-20-16-10-3-1-2-6-13-22(16)17/h4-5,8-9H,1-3,6-7,10-13H2
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377865
PNG
(CHEMBL404435)
Show SMILES Cc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-8-10-16(11-9-15)19(12-6-13-19)18-21-20-17-7-4-2-3-5-14-22(17)18/h8-11H,2-7,12-14H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377868
PNG
(CHEMBL255660)
Show SMILES Fc1cccc(c1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-8-5-7-14(13-15)18(10-6-11-18)17-21-20-16-9-3-1-2-4-12-22(16)17/h5,7-8,13H,1-4,6,9-12H2
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a 37n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377867
PNG
(CHEMBL256514)
Show SMILES Fc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-7-14(8-10-15)18(11-5-12-18)17-21-20-16-6-3-1-2-4-13-22(16)17/h7-10H,1-6,11-13H2
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377866
PNG
(CHEMBL257148)
Show SMILES Cc1cccc(c1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-8-6-9-16(14-15)19(11-7-12-19)18-21-20-17-10-4-2-3-5-13-22(17)18/h6,8-9,14H,2-5,7,10-13H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377880
PNG
(CHEMBL404436)
Show SMILES Cc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-9-5-6-10-16(15)19(12-8-13-19)18-21-20-17-11-4-2-3-7-14-22(17)18/h5-6,9-10H,2-4,7-8,11-14H2,1H3
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 97n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 97n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Eur J Med Chem 65: 403-14 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a 98n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a 109n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a 109n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377885
PNG
(CHEMBL402995)
Show SMILES C1CC1(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C17H21N3/c1-2-7-13-20-15(10-6-1)18-19-16(20)17(11-12-17)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
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n/an/a 172n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377886
PNG
(CHEMBL258446)
Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C17H20ClN3/c18-14-8-6-13(7-9-14)17(10-11-17)16-20-19-15-5-3-1-2-4-12-21(15)16/h6-9H,1-5,10-12H2
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377878
PNG
(CHEMBL258447)
Show SMILES Cc1ccc(cc1)C1(CC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H23N3/c1-14-7-9-15(10-8-14)18(11-12-18)17-20-19-16-6-4-2-3-5-13-21(16)17/h7-10H,2-6,11-13H2,1H3
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n/an/a 332n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50377874
PNG
(CHEMBL402386)
Show SMILES C1CCC(C1)(c1nnc2CCCCCCn12)c1ccccc1
Show InChI InChI=1S/C19H25N3/c1-2-9-15-22-17(12-6-1)20-21-18(22)19(13-7-8-14-19)16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD2 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50436974
PNG
(CHEMBL512447)
Show SMILES C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC4=C)CC[C@H]12
Show InChI InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15?,16-,17+,18+,19-,20-/m1/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillati...


Eur J Med Chem 65: 403-14 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50436974
PNG
(CHEMBL512447)
Show SMILES C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC4=C)CC[C@H]12
Show InChI InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15?,16-,17+,18+,19-,20-/m1/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillati...


Eur J Med Chem 65: 403-14 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50377865
PNG
(CHEMBL404435)
Show SMILES Cc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-8-10-16(11-9-15)19(12-6-13-19)18-21-20-17-7-4-2-3-5-14-22(17)18/h8-11H,2-7,12-14H2,1H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD2 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD2 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a>3.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a>3.30E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2 (unknown origin) expressed in CHO-K1 cells assessed as conversion of [3H]cortisol to cortisone by SPA assay


J Med Chem 51: 4851-7 (2008)


Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50377880
PNG
(CHEMBL404436)
Show SMILES Cc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C19H25N3/c1-15-9-5-6-10-16(15)19(12-8-13-19)18-21-20-17-11-4-2-3-7-14-22(17)18/h5-6,9-10H,2-4,7-8,11-14H2,1H3
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n/an/a 3.32E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD2 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50239276
PNG
(3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triaz...)
Show SMILES Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
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