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4 similar compounds to monomer 50306422

Compile data set for download or QSAR
Wt: 457.0
BDBM50306426
Wt: 436.5
BDBM50306423
Wt: 436.5
BDBM50306425
Wt: 457.0
BDBM50306427

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50306426,50306423,50306425,50306427   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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))
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))
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 2


(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>1.00E+4n/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))
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 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 2


(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>1.00E+4n/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))
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>1.00E+4n/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))
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