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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50031067   
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))
BDBM50306433
PNG
(CHEMBL601211 | N-(adamantan-2-yl)-7-bromo-3-(carba...)
Show SMILES NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H34BrN3O2/c27-21-3-1-2-20-19(13-22(28)31)14-26(23(20)21)4-6-30(7-5-26)25(32)29-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H2,28,31)(H,29,32)
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n/an/a 0.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306416
PNG
(CHEMBL596620 | N-(adamantan-2-yl)-1,3-dihydrospiro...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1
Show InChI InChI=1S/C24H32N2O/c27-23(25-22-20-9-16-8-17(11-20)12-21(22)10-16)26-7-3-6-24(15-26)13-18-4-1-2-5-19(18)14-24/h1-2,4-5,16-17,20-22H,3,6-15H2,(H,25,27)
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n/an/a 0.700n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306417
PNG
(CHEMBL596621 | N-(adamantan-2-yl)-2,3-dihydrospiro...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C24H32N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-4,16-17,19-20,22H,5-15H2,(H,25,27)
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306414
PNG
(3-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C22H30N2O/c25-22(23-21-19-10-15-9-16(12-19)13-20(21)11-15)24-8-4-7-18(14-24)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-21H,4,7-14H2,(H,23,25)
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306411
PNG
(3-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1
Show InChI InChI=1S/C23H32N2O/c26-23(24-22-20-11-18-10-19(13-20)14-21(22)12-18)25-8-4-7-17(15-25)9-16-5-2-1-3-6-16/h1-3,5-6,17-22H,4,7-15H2,(H,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306433
PNG
(CHEMBL601211 | N-(adamantan-2-yl)-7-bromo-3-(carba...)
Show SMILES NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H34BrN3O2/c27-21-3-1-2-20-19(13-22(28)31)14-26(23(20)21)4-6-30(7-5-26)25(32)29-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H2,28,31)(H,29,32)
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306415
PNG
(4-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H30N2O/c25-22(23-21-19-11-15-10-16(13-19)14-20(21)12-15)24-8-6-18(7-9-24)17-4-2-1-3-5-17/h1-5,15-16,18-21H,6-14H2,(H,23,25)
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306412
PNG
(4-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H32N2O/c26-23(24-22-20-12-18-11-19(14-20)15-21(22)13-18)25-8-6-17(7-9-25)10-16-4-2-1-3-5-16/h1-5,17-22H,6-15H2,(H,24,26)
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n/an/a 1.10n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306431
PNG
(2-[(3R)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)
Show SMILES OC(=O)C[C@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306410
PNG
(2-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C23H32N2O/c26-23(24-22-19-11-17-10-18(13-19)14-20(22)12-17)25-9-5-4-8-21(25)15-16-6-2-1-3-7-16/h1-3,6-7,17-22H,4-5,8-15H2,(H,24,26)
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n/an/a 1.40n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306429
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)
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n/an/a 1.60n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306434
PNG
(CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hyd...)
Show SMILES OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H35BrN2O2/c27-22-3-1-2-21-18(4-9-30)15-26(23(21)22)5-7-29(8-6-26)25(31)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h1-3,16-20,24,30H,4-15H2,(H,28,31)
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n/an/a 1.70n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306432
PNG
(CHEMBL601210 | N-(adamantan-2-yl)-7-bromo-3-[(meth...)
Show SMILES CS(=O)(=O)NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C27H36BrN3O4S/c1-36(34,35)30-23(32)14-20-15-27(24-21(20)3-2-4-22(24)28)5-7-31(8-6-27)26(33)29-25-18-10-16-9-17(12-18)13-19(25)11-16/h2-4,16-20,25H,5-15H2,1H3,(H,29,33)(H,30,32)
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n/an/a 2n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306430
PNG
(2-[(3S)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)
Show SMILES OC(=O)C[C@@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306413
PNG
(2-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C22H30N2O/c25-22(23-21-18-11-15-10-16(13-18)14-19(21)12-15)24-9-5-4-8-20(24)17-6-2-1-3-7-17/h1-3,6-7,15-16,18-21H,4-5,8-14H2,(H,23,25)
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n/an/a 2.20n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306428
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-chloro-2,3-dih...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Cl
Show InChI InChI=1S/C26H33ClN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)
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n/an/a 2.20n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306431
PNG
(2-[(3R)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)
Show SMILES OC(=O)C[C@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306417
PNG
(CHEMBL596621 | N-(adamantan-2-yl)-2,3-dihydrospiro...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C24H32N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-4,16-17,19-20,22H,5-15H2,(H,25,27)
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n/an/a 2.70n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306422
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)
Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 3.40n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306426
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dih...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-22-21(13-20)19(12-23(30)31)14-26(22)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31)
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n/an/a 3.40n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306427
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-chloro-2,3-dih...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-21-19(12-23(30)31)14-26(22(21)13-20)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31)
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n/an/a 3.40n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306429
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3-dihy...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)
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n/an/a 5.30n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306423
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)
Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 6.70n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306430
PNG
(2-[(3S)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)
Show SMILES OC(=O)C[C@@H]1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306425
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-methyl-2,3-dih...)
Show SMILES Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-21(14-23(30)31)15-27(24(16)22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 7.60n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306424
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-methyl-2,3-dih...)
Show SMILES Cc1ccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c2c1
Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-22-21(14-24(30)31)15-27(23(22)8-16)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 8.90n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50306423
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)
Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306428
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-chloro-2,3-dih...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Cl
Show InChI InChI=1S/C26H33ClN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)
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n/an/a 10.7n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306409
PNG
(CHEMBL596815 | Piperidine-1-carboxylic acid adaman...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCCC1
Show InChI InChI=1S/C16H26N2O/c19-16(18-4-2-1-3-5-18)17-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2,(H,17,19)
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n/an/a 16.1n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 16.1n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 16.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306434
PNG
(CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hyd...)
Show SMILES OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H35BrN2O2/c27-22-3-1-2-21-18(4-9-30)15-26(23(21)22)5-7-29(8-6-26)25(31)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h1-3,16-20,24,30H,4-15H2,(H,28,31)
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n/an/a 18n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306425
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-7-methyl-2,3-dih...)
Show SMILES Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-21(14-23(30)31)15-27(24(16)22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 18.3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306422
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)
Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 19.7n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306432
PNG
(CHEMBL601210 | N-(adamantan-2-yl)-7-bromo-3-[(meth...)
Show SMILES CS(=O)(=O)NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C27H36BrN3O4S/c1-36(34,35)30-23(32)14-20-15-27(24-21(20)3-2-4-22(24)28)5-7-31(8-6-27)26(33)29-25-18-10-16-9-17(12-18)13-19(25)11-16/h2-4,16-20,25H,5-15H2,1H3,(H,29,33)(H,30,32)
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n/an/a 22.3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306424
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-methyl-2,3-dih...)
Show SMILES Cc1ccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c2c1
Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-22-21(14-24(30)31)15-27(23(22)8-16)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 22.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306426
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dih...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-22-21(13-20)19(12-23(30)31)14-26(22)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31)
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n/an/a 23.2n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306427
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-6-chloro-2,3-dih...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H33ClN2O3/c27-20-1-2-21-19(12-23(30)31)14-26(22(21)13-20)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31)
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n/an/a 30.2n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 39.9n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306418
PNG
(4-Phenyl-piperidine-1,4-dicarboxylic acid 1-adaman...)
Show SMILES NC(=O)C1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C23H31N3O2/c24-21(27)23(19-4-2-1-3-5-19)6-8-26(9-7-23)22(28)25-20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2,(H2,24,27)(H,25,28)
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n/an/a 41.6n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306423
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)
Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 49.1n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306419
PNG
(4-Hydroxy-4-phenyl-piperidine-1-carboxylic acid ad...)
Show SMILES OC1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C22H30N2O2/c25-21(23-20-17-11-15-10-16(13-17)14-18(20)12-15)24-8-6-22(26,7-9-24)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25)
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n/an/a 56.8n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 57.8n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 60.3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306420
PNG
(1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro[in...)
Show SMILES OC(=O)C1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C25H32N2O3/c28-23(29)20-14-25(21-4-2-1-3-19(20)21)5-7-27(8-6-25)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,20,22H,5-14H2,(H,26,30)(H,28,29)
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n/an/a 68.6n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 194n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306420
PNG
(1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro[in...)
Show SMILES OC(=O)C1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C25H32N2O3/c28-23(29)20-14-25(21-4-2-1-3-19(20)21)5-7-27(8-6-25)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,20,22H,5-14H2,(H,26,30)(H,28,29)
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n/an/a>200n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50306422
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)
Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 510n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50306434
PNG
(CHEMBL606420 | N-(adamantan-2-yl)-7-bromo-3-(2-hyd...)
Show SMILES OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
Show InChI InChI=1S/C26H35BrN2O2/c27-22-3-1-2-21-18(4-9-30)15-26(23(21)22)5-7-29(8-6-26)25(31)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h1-3,16-20,24,30H,4-15H2,(H,28,31)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
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