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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50224207'   
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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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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7n/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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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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17n/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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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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140n/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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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 presence of 3% HSA by cell based assay


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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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 15n/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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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 50n/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))
BDBM50224207
PNG
(2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...)
Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O
Show InChI InChI=1S/C12H13FN2OS/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)
PDB
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n/an/a 97n/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