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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50306431'   
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))
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 |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
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))
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 |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
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



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
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 |r,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
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