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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 254.3
BDBM22456
Wt: 268.4
BDBM22457
Wt: 268.4
BDBM22458
Wt: 252.3
BDBM22462
Wt: 266.4
BDBM22465
Wt: 257.3
BDBM50193792
Wt: 273.1
BDBM50195501
Wt: 278.2
BDBM50212525
Purchase
Wt: 274.3
BDBM50212530
Purchase
Wt: 266.3
BDBM50216917
Wt: 268.7
BDBM50224208
Wt: 278.3
BDBM50224221
Wt: 271.4
BDBM50239401
Purchase
Wt: 266.4
BDBM50319665
Purchase
Wt: 267.3
BDBM50377885
Displayed 1 to 15 (of 483 total )  |  Next  |  Last  >>

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

Found 64 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))
BDBM50224221
PNG
(5-cyclopentyl-2-(2-fluorophenylamino)thiazol-4(5H)...)
Show SMILES Oc1nc(Nc2ccccc2F)sc1C1CCCC1
Show InChI InChI=1S/C14H15FN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17)
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5.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by SPA


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50224208
PNG
(2-(2-chlorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2Cl)nc1O
Show InChI InChI=1S/C12H13ClN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15)
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7.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by SPA


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50216917
PNG
(2-(cyclooctylamino)-5,5-diethyloxazol-4(5H)-one | ...)
Show SMILES CCC1(CC)OC(NC2CCCCCCC2)=NC1=O
Show InChI InChI=1S/C15H26N2O2/c1-3-15(4-2)13(18)17-14(19-15)16-12-10-8-6-5-7-9-11-12/h12H,3-11H2,1-2H3,(H,16,17,18)
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10n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay


Bioorg Med Chem Lett 17: 4837-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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12.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone as substrate by scintillation proximity assay


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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12.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM22457
PNG
(2-(cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro...)
Show SMILES CCCC1(C)SC(NC2CCCCCC2)=NC1=O
Show InChI InChI=1S/C14H24N2OS/c1-3-10-14(2)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)
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32 -42.3n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM22458
PNG
(2-(cyclooctylamino)-5-ethyl-5-methyl-4,5-dihydro-1...)
Show SMILES CCC1(C)SC(NC2CCCCCCC2)=NC1=O
Show InChI InChI=1S/C14H24N2OS/c1-3-14(2)12(17)16-13(18-14)15-11-9-7-5-4-6-8-10-11/h11H,3-10H2,1-2H3,(H,15,16,17)
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47 -41.4n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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70.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone as substrate by scintillation proximity assay


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM22462
PNG
(2-Amino-1,3-thiazol-4(5H)-one, 5f | 2-{bicyclo[2.2...)
Show SMILES CCC1(C)SC(NC23CCC(CC2)C3)=NC1=O
Show InChI InChI=1S/C13H20N2OS/c1-3-12(2)10(16)14-11(17-12)15-13-6-4-9(8-13)5-7-13/h9H,3-8H2,1-2H3,(H,14,15,16)
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73 -40.3n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM22456
PNG
(2-(cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-...)
Show SMILES CCC1(C)SC(NC2CCCCCC2)=NC1=O
Show InChI InChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16)
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82 -40.0n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM22465
PNG
(2-Amino-1,3-thiazol-4(5H)-one, 6g | 2-{bicyclo[2.2...)
Show SMILES CCCC1(C)SC(NC2C3CCC2CC3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-3-8-14(2)12(17)16-13(18-14)15-11-9-4-5-10(11)7-6-9/h9-11H,3-8H2,1-2H3,(H,15,16,17)
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149 -38.6n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50216917
PNG
(2-(cyclooctylamino)-5,5-diethyloxazol-4(5H)-one | ...)
Show SMILES CCC1(CC)OC(NC2CCCCCCC2)=NC1=O
Show InChI InChI=1S/C15H26N2O2/c1-3-15(4-2)13(18)17-14(19-15)16-12-10-8-6-5-7-9-11-12/h12H,3-11H2,1-2H3,(H,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Binding affinity to human 11beta-HSD2


Bioorg Med Chem Lett 17: 4837-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 0.975n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of adipose tissue-derived 11beta-HSD1 (unknown origin)


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))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
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))
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
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 7.80n/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 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))
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


(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


(Homo sapiens (human))
BDBM50224208
PNG
(2-(2-chlorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2Cl)nc1O
Show InChI InChI=1S/C12H13ClN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 in CHO cells assessed as conversion of cortisone to cortisol


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50224221
PNG
(5-cyclopentyl-2-(2-fluorophenylamino)thiazol-4(5H)...)
Show SMILES Oc1nc(Nc2ccccc2F)sc1C1CCCC1
Show InChI InChI=1S/C14H15FN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17)
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 in CHO cells assessed as conversion of cortisone to cortisol


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50212525
PNG
(1-(4-fluorophenyl)-2-(phenylsulfonyl)ethanone | CH...)
Show SMILES Fc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
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n/an/a 90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 4396-405 (2007)


Article DOI: 10.1016/j.bmc.2007.04.035
BindingDB Entry DOI: 10.7270/Q24M95CG
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 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 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))
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


(Homo sapiens (human))
BDBM50212530
PNG
(2-(phenylsulfonyl)-1-p-tolylethanone | CHEMBL39280...)
Show SMILES Cc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14O3S/c1-12-7-9-13(10-8-12)15(16)11-19(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3
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n/an/a 102n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 4396-405 (2007)


Article DOI: 10.1016/j.bmc.2007.04.035
BindingDB Entry DOI: 10.7270/Q24M95CG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50193792
PNG
(3-benzyl-1-cyclohexylpyrrolidin-2-one | CHEMBL2182...)
Show SMILES O=C1C(Cc2ccccc2)CCN1C1CCCCC1
Show InChI InChI=1S/C17H23NO/c19-17-15(13-14-7-3-1-4-8-14)11-12-18(17)16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2
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n/an/a 107n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
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 2


(Homo sapiens (human))
BDBM50224221
PNG
(5-cyclopentyl-2-(2-fluorophenylamino)thiazol-4(5H)...)
Show SMILES Oc1nc(Nc2ccccc2F)sc1C1CCCC1
Show InChI InChI=1S/C14H15FN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17)
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n/an/a 380n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD2 by SPA


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50195501
PNG
((4-amino-3,5-dichlorophenyl)(piperidin-1-yl)methan...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCCC1
Show InChI InChI=1S/C12H14Cl2N2O/c13-9-6-8(7-10(14)11(9)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5,15H2
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n/an/a 870n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50224208
PNG
(2-(2-chlorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2Cl)nc1O
Show InChI InChI=1S/C12H13ClN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD2 by SPA


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
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
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
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 (11-beta-HSD2)


(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>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 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))
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>4.00E+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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM22456
PNG
(2-(cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-...)
Show SMILES CCC1(C)SC(NC2CCCCCC2)=NC1=O
Show InChI InChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB



Assay Description
The assay was performed at room temperature in a 96-well microtiter plate containing substrate mixture [3H]cortisol/NAD+, inhibitors, and 11beta-HSD2...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50193792
PNG
(3-benzyl-1-cyclohexylpyrrolidin-2-one | CHEMBL2182...)
Show SMILES O=C1C(Cc2ccccc2)CCN1C1CCCCC1
Show InChI InChI=1S/C17H23NO/c19-17-15(13-14-7-3-1-4-8-14)11-12-18(17)16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(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>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50195501
PNG
((4-amino-3,5-dichlorophenyl)(piperidin-1-yl)methan...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCCC1
Show InChI InChI=1S/C12H14Cl2N2O/c13-9-6-8(7-10(14)11(9)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5,15H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 by SPA


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
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