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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50033152   
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))
BDBM50340438
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCCc2ccccc12
Show InChI InChI=1S/C17H20N4O/c22-17(20-9-7-14(12-20)15-10-18-19-11-15)21-8-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,10-11,14H,3,5,7-9,12H2,(H,18,19)
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n/an/a 4n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340439
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4,4-dimethyl-...)
Show SMILES CC1(C)CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C19H24N4O/c1-19(2)8-10-23(17-6-4-3-5-16(17)19)18(24)22-9-7-14(13-22)15-11-20-21-12-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,21)
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n/an/a 7n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340442
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCNc2ccccc12
Show InChI InChI=1S/C16H19N5O/c22-16(20-7-5-12(11-20)13-9-18-19-10-13)21-8-6-17-14-3-1-2-4-15(14)21/h1-4,9-10,12,17H,5-8,11H2,(H,18,19)
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n/an/a 7n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340439
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4,4-dimethyl-...)
Show SMILES CC1(C)CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C19H24N4O/c1-19(2)8-10-23(17-6-4-3-5-16(17)19)18(24)22-9-7-14(13-22)15-11-20-21-12-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,21)
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n/an/a 8n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340443
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-methyl-3,4-...)
Show SMILES CN1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C17H21N5O/c1-20-8-9-22(16-5-3-2-4-15(16)20)17(23)21-7-6-13(12-21)14-10-18-19-11-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,18,19)
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n/an/a 9n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
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n/an/a>10n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50340431
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(CC1)c1cnc[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a>10n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340440
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(2',3'-dihydro...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCC2(CC2)c2ccccc12
Show InChI InChI=1S/C19H22N4O/c24-18(22-9-5-14(13-22)15-11-20-21-12-15)23-10-8-19(6-7-19)16-3-1-2-4-17(16)23/h1-4,11-12,14H,5-10,13H2,(H,20,21)
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n/an/a 18n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340435
PNG
((4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroqui...)
Show SMILES O=C(N1CCC(CC1)c1cn[nH]c1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-20-13-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340440
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(2',3'-dihydro...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCC2(CC2)c2ccccc12
Show InChI InChI=1S/C19H22N4O/c24-18(22-9-5-14(13-22)15-11-20-21-12-15)23-10-8-19(6-7-19)16-3-1-2-4-17(16)23/h1-4,11-12,14H,5-10,13H2,(H,20,21)
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n/an/a 21n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340438
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCCc2ccccc12
Show InChI InChI=1S/C17H20N4O/c22-17(20-9-7-14(12-20)15-10-18-19-11-15)21-8-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,10-11,14H,3,5,7-9,12H2,(H,18,19)
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n/an/a 25n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340443
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-methyl-3,4-...)
Show SMILES CN1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C17H21N5O/c1-20-8-9-22(16-5-3-2-4-15(16)20)17(23)21-7-6-13(12-21)14-10-18-19-11-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,18,19)
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n/an/a 26n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340441
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(2H-benzo[b][1...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCOc2ccccc12
Show InChI InChI=1S/C16H18N4O2/c21-16(19-6-5-12(11-19)13-9-17-18-10-13)20-7-8-22-15-4-2-1-3-14(15)20/h1-4,9-10,12H,5-8,11H2,(H,17,18)
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n/an/a 27n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340445
PNG
(4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCN(c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C23H22N6O/c24-13-17-5-7-20(8-6-17)28-11-12-29(22-4-2-1-3-21(22)28)23(30)27-10-9-18(16-27)19-14-25-26-15-19/h1-8,14-15,18H,9-12,16H2,(H,25,26)
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n/an/a 37n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340437
PNG
(CHEMBL1761857 | Endo-((1R,5S)-3-(1H-pyrazol-3-yl)-...)
Show SMILES O=C(N1[C@H]2CC[C@@H]1C[C@@H](C2)c1ccn[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H24N4O/c25-20(23-11-3-5-14-4-1-2-6-19(14)23)24-16-7-8-17(24)13-15(12-16)18-9-10-21-22-18/h1-2,4,6,9-10,15-17H,3,5,7-8,11-13H2,(H,21,22)/t15-,16+,17-
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n/an/a 40n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340431
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(CC1)c1cnc[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a 42n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340433
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-(5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C27H27N7O2/c1-36-23-8-6-19(7-9-23)21-14-28-26(29-15-21)33-12-13-34(25-5-3-2-4-24(25)33)27(35)32-11-10-20(18-32)22-16-30-31-17-22/h2-9,14-17,20H,10-13,18H2,1H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340433
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-(5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C27H27N7O2/c1-36-23-8-6-19(7-9-23)21-14-28-26(29-15-21)33-12-13-34(25-5-3-2-4-24(25)33)27(35)32-11-10-20(18-32)22-16-30-31-17-22/h2-9,14-17,20H,10-13,18H2,1H3,(H,30,31)
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n/an/a 49n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340437
PNG
(CHEMBL1761857 | Endo-((1R,5S)-3-(1H-pyrazol-3-yl)-...)
Show SMILES O=C(N1[C@H]2CC[C@@H]1C[C@@H](C2)c1ccn[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H24N4O/c25-20(23-11-3-5-14-4-1-2-6-19(14)23)24-16-7-8-17(24)13-15(12-16)18-9-10-21-22-18/h1-2,4,6,9-10,15-17H,3,5,7-8,11-13H2,(H,21,22)/t15-,16+,17-
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n/an/a 51n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340444
PNG
(4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C23H24N6O2/c24-22(30)16-5-7-19(8-6-16)28-11-12-29(21-4-2-1-3-20(21)28)23(31)27-10-9-17(15-27)18-13-25-26-14-18/h1-8,13-14,17H,9-12,15H2,(H2,24,30)(H,25,26)
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n/an/a 55n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340442
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCNc2ccccc12
Show InChI InChI=1S/C16H19N5O/c22-16(20-7-5-12(11-20)13-9-18-19-10-13)21-8-6-17-14-3-1-2-4-15(14)21/h1-4,9-10,12,17H,5-8,11H2,(H,18,19)
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n/an/a 55n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
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n/an/a 66n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340436
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(pyridin-3-yl)pip...)
Show SMILES O=C(N1CCC(CC1)c1cccnc1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2
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n/an/a 66n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340446
PNG
(4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3...)
Show SMILES O=C(NC1CC1)c1ccc(cc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C26H28N6O2/c33-25(29-21-7-8-21)18-5-9-22(10-6-18)31-13-14-32(24-4-2-1-3-23(24)31)26(34)30-12-11-19(17-30)20-15-27-28-16-20/h1-6,9-10,15-16,19,21H,7-8,11-14,17H2,(H,27,28)(H,29,33)
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n/an/a 67n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
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n/an/a 72n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340447
PNG
(4-((4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-...)
Show SMILES O=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CCC(C3)c3cn[nH]c3)c3ccccc23)cc1
Show InChI InChI=1S/C27H30N6O2/c34-26(30-23-9-10-23)20-7-5-19(6-8-20)17-31-13-14-33(25-4-2-1-3-24(25)31)27(35)32-12-11-21(18-32)22-15-28-29-16-22/h1-8,15-16,21,23H,9-14,17-18H2,(H,28,29)(H,30,34)
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n/an/a 73n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340436
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(pyridin-3-yl)pip...)
Show SMILES O=C(N1CCC(CC1)c1cccnc1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2
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n/an/a 73n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340445
PNG
(4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCN(c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C23H22N6O/c24-13-17-5-7-20(8-6-17)28-11-12-29(22-4-2-1-3-21(22)28)23(30)27-10-9-18(16-27)19-14-25-26-15-19/h1-8,14-15,18H,9-12,16H2,(H,25,26)
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n/an/a 75n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340446
PNG
(4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3...)
Show SMILES O=C(NC1CC1)c1ccc(cc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C26H28N6O2/c33-25(29-21-7-8-21)18-5-9-22(10-6-18)31-13-14-32(24-4-2-1-3-23(24)31)26(34)30-12-11-19(17-30)20-15-27-28-16-20/h1-6,9-10,15-16,19,21H,7-8,11-14,17H2,(H,27,28)(H,29,33)
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n/an/a 90n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340454
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(3-methyl-1,2,4-o...)
Show SMILES Cc1noc(n1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O2/c1-13-19-17(24-20-13)15-8-11-21(12-9-15)18(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,15H,4,6,8-12H2,1H3
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n/an/a 93n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340444
PNG
(4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C23H24N6O2/c24-22(30)16-5-7-19(8-6-16)28-11-12-29(21-4-2-1-3-20(21)28)23(31)27-10-9-17(15-27)18-13-25-26-14-18/h1-8,13-14,17H,9-12,15H2,(H2,24,30)(H,25,26)
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n/an/a 100n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340447
PNG
(4-((4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-...)
Show SMILES O=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CCC(C3)c3cn[nH]c3)c3ccccc23)cc1
Show InChI InChI=1S/C27H30N6O2/c34-26(30-23-9-10-23)20-7-5-19(6-8-20)17-31-13-14-33(25-4-2-1-3-24(25)31)27(35)32-12-11-21(18-32)22-15-28-29-16-22/h1-8,15-16,21,23H,9-14,17-18H2,(H,28,29)(H,30,34)
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n/an/a 108n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340435
PNG
((4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroqui...)
Show SMILES O=C(N1CCC(CC1)c1cn[nH]c1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-20-13-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a 113n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340434
PNG
((4-(1H-pyrazol-3-yl)piperidin-1-yl)(3,4-dihydroqui...)
Show SMILES O=C(N1CCC(CC1)c1ccn[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-11-3-5-15-4-1-2-6-17(15)22)21-12-8-14(9-13-21)16-7-10-19-20-16/h1-2,4,6-7,10,14H,3,5,8-9,11-13H2,(H,19,20)
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n/an/a 127n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340457
PNG
(CHEMBL1761858 | Exo-((1R,5S)-3-(1H-pyrazol-3-yl)-8...)
Show SMILES O=C(N1[C@H]2CC[C@@H]1C[C@H](C2)c1ccn[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H24N4O/c25-20(23-11-3-5-14-4-1-2-6-19(14)23)24-16-7-8-17(24)13-15(12-16)18-9-10-21-22-18/h1-2,4,6,9-10,15-17H,3,5,7-8,11-13H2,(H,21,22)/t15-,16-,17+
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n/an/a 200n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340431
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(CC1)c1cnc[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a 325n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340452
PNG
((4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl)(3,4-dihyd...)
Show SMILES O=C(N1CCC(CC1)c1ncon1)N1CCCc2ccccc12
Show InChI InChI=1S/C17H20N4O2/c22-17(21-9-3-5-13-4-1-2-6-15(13)21)20-10-7-14(8-11-20)16-18-12-23-19-16/h1-2,4,6,12,14H,3,5,7-11H2
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n/an/a 378n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340448
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(1-methyl-1H-pyra...)
Show SMILES Cn1cc(cn1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C19H24N4O/c1-21-14-17(13-20-21)15-8-11-22(12-9-15)19(24)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,13-15H,4,6,8-12H2,1H3
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n/an/a 436n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340441
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(2H-benzo[b][1...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCOc2ccccc12
Show InChI InChI=1S/C16H18N4O2/c21-16(19-6-5-12(11-19)13-9-17-18-10-13)20-7-8-22-15-4-2-1-3-14(15)20/h1-4,9-10,12H,5-8,11H2,(H,17,18)
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n/an/a 490n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340434
PNG
((4-(1H-pyrazol-3-yl)piperidin-1-yl)(3,4-dihydroqui...)
Show SMILES O=C(N1CCC(CC1)c1ccn[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-11-3-5-15-4-1-2-6-17(15)22)21-12-8-14(9-13-21)16-7-10-19-20-16/h1-2,4,6-7,10,14H,3,5,8-9,11-13H2,(H,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340456
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(4,5-dimethyl-4H-...)
Show SMILES Cc1nnc(C2CCN(CC2)C(=O)N2CCCc3ccccc23)n1C
Show InChI InChI=1S/C19H25N5O/c1-14-20-21-18(22(14)2)16-9-12-23(13-10-16)19(25)24-11-5-7-15-6-3-4-8-17(15)24/h3-4,6,8,16H,5,7,9-13H2,1-2H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340453
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(5-methyl-1,2,4-o...)
Show SMILES Cc1nc(no1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O2/c1-13-19-17(20-24-13)15-8-11-21(12-9-15)18(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,15H,4,6,8-12H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340455
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(2-methyloxazol-5...)
Show SMILES Cc1ncc(o1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C19H23N3O2/c1-14-20-13-18(24-14)16-8-11-21(12-9-16)19(23)22-10-4-6-15-5-2-3-7-17(15)22/h2-3,5,7,13,16H,4,6,8-12H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340449
PNG
((4-(1H-imidazol-2-yl)piperidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(CC1)c1ncc[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-11-3-5-14-4-1-2-6-16(14)22)21-12-7-15(8-13-21)17-19-9-10-20-17/h1-2,4,6,9-10,15H,3,5,7-8,11-13H2,(H,19,20)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340451
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(5-methyl-1,3,4-o...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O2/c1-13-19-20-17(24-13)15-8-11-21(12-9-15)18(23)22-10-4-6-14-5-2-3-7-16(14)22/h2-3,5,7,15H,4,6,8-12H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340450
PNG
((4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl)(3...)
Show SMILES O=C(N1CCC(CC1)C1=NCCN1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H24N4O/c23-18(22-11-3-5-14-4-1-2-6-16(14)22)21-12-7-15(8-13-21)17-19-9-10-20-17/h1-2,4,6,15H,3,5,7-13H2,(H,19,20)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50340435
PNG
((4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroqui...)
Show SMILES O=C(N1CCC(CC1)c1cn[nH]c1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-20-13-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50340433
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-(5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
Show InChI InChI=1S/C27H27N7O2/c1-36-23-8-6-19(7-9-23)21-14-28-26(29-15-21)33-12-13-34(25-5-3-2-4-24(25)33)27(35)32-11-10-20(18-32)22-16-30-31-17-22/h2-9,14-17,20H,10-13,18H2,1H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50340448
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(1-methyl-1H-pyra...)
Show SMILES Cn1cc(cn1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C19H24N4O/c1-21-14-17(13-20-21)15-8-11-22(12-9-15)19(24)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,13-15H,4,6,8-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair