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Compile Data Set for Download or QSAR

Found 44 hits from AstraZeneca PLC   
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))
BDBM50321153
PNG
((1-(3-bromobenzoyl)piperidin-4-yl)(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C19H17BrFNO2/c20-16-3-1-2-15(12-16)19(24)22-10-8-14(9-11-22)18(23)13-4-6-17(21)7-5-13/h1-7,12,14H,8-11H2
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n/an/a 2.79E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321171
PNG
((1-(3-(dimethylamino)benzoyl)piperidin-4-yl)(4-flu...)
Show SMILES CN(C)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN2O2/c1-23(2)19-5-3-4-17(14-19)21(26)24-12-10-16(11-13-24)20(25)15-6-8-18(22)9-7-15/h3-9,14,16H,10-13H2,1-2H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321164
PNG
((1-(4-bromobenzoyl)piperidin-4-yl)(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C19H17BrFNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321161
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(p-tolyl)methan...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO2/c1-14-2-4-17(5-3-14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-18(21)9-7-15/h2-9,16H,10-13H2,1H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321169
PNG
((1-(3,4-dichlorobenzoyl)piperidin-4-yl)(4-fluoroph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2FNO2/c20-16-6-3-14(11-17(16)21)19(25)23-9-7-13(8-10-23)18(24)12-1-4-15(22)5-2-12/h1-6,11,13H,7-10H2
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n/an/a 3.52E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321151
PNG
((1-benzoylpiperidin-4-yl)(4-fluorophenyl)methanone...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H18FNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2
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n/an/a 3.61E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321137
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(3-(trifluorome...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F4NO2/c21-17-6-4-13(5-7-17)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,14H,8-11H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321175
PNG
((1-(2-chlorobenzoyl)piperidin-4-yl)(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H17ClFNO2/c20-17-4-2-1-3-16(17)19(24)22-11-9-14(10-12-22)18(23)13-5-7-15(21)8-6-13/h1-8,14H,9-12H2
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n/an/a 4.06E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321158
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(3-methoxypheny...)
Show SMILES COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO3/c1-25-18-4-2-3-16(13-18)20(24)22-11-9-15(10-12-22)19(23)14-5-7-17(21)8-6-14/h2-8,13,15H,9-12H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321173
PNG
((1-(4-chloro-3-(trifluoromethyl)benzoyl)piperidin-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H16ClF4NO2/c21-17-6-3-14(11-16(17)20(23,24)25)19(28)26-9-7-13(8-10-26)18(27)12-1-4-15(22)5-2-12/h1-6,11,13H,7-10H2
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n/an/a 4.65E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321167
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(4-(trifluorome...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H17F4NO3/c21-16-5-1-13(2-6-16)18(26)14-9-11-25(12-10-14)19(27)15-3-7-17(8-4-15)28-20(22,23)24/h1-8,14H,9-12H2
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n/an/a 5.45E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321142
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(m-tolyl)methan...)
Show SMILES Cc1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO2/c1-14-3-2-4-17(13-14)20(24)22-11-9-16(10-12-22)19(23)15-5-7-18(21)8-6-15/h2-8,13,16H,9-12H2,1H3
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n/an/a 5.93E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321163
PNG
((1-(4-chlorobenzoyl)piperidin-4-yl)(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClFNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2
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n/an/a 6.02E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321138
PNG
(CHEMBL1163538 | biphenyl-4-yl(4-(4-fluorobenzoyl)p...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22FNO2/c26-23-12-10-20(11-13-23)24(28)21-14-16-27(17-15-21)25(29)22-8-6-19(7-9-22)18-4-2-1-3-5-18/h1-13,21H,14-17H2
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n/an/a 6.12E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321139
PNG
(1-(4-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)phe...)
Show SMILES CC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20FNO3/c1-14(24)15-2-4-18(5-3-15)21(26)23-12-10-17(11-13-23)20(25)16-6-8-19(22)9-7-16/h2-9,17H,10-13H2,1H3
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n/an/a 6.88E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321166
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(o-tolyl)methan...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3
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n/an/a 6.89E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321140
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(4-(trifluorome...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F4NO2/c21-17-7-3-13(4-8-17)18(26)14-9-11-25(12-10-14)19(27)15-1-5-16(6-2-15)20(22,23)24/h1-8,14H,9-12H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321154
PNG
((1-(3-chlorobenzoyl)piperidin-4-yl)(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClFNO2/c20-16-3-1-2-15(12-16)19(24)22-10-8-14(9-11-22)18(23)13-4-6-17(21)7-5-13/h1-7,12,14H,8-11H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321134
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(2-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1F
Show InChI InChI=1S/C19H17F2NO2/c20-15-7-5-13(6-8-15)18(23)14-9-11-22(12-10-14)19(24)16-3-1-2-4-17(16)21/h1-8,14H,9-12H2
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n/an/a 7.44E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321141
PNG
((1-(3,4-difluorobenzoyl)piperidin-4-yl)(4-fluoroph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H16F3NO2/c20-15-4-1-12(2-5-15)18(24)13-7-9-23(10-8-13)19(25)14-3-6-16(21)17(22)11-14/h1-6,11,13H,7-10H2
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n/an/a 7.50E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321155
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(3-(trifluorome...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H17F4NO3/c21-16-6-4-13(5-7-16)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-17(12-15)28-20(22,23)24/h1-7,12,14H,8-11H2
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n/an/a 9.06E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321150
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(4-nitrophenyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O4/c20-16-5-1-13(2-6-16)18(23)14-9-11-21(12-10-14)19(24)15-3-7-17(8-4-15)22(25)26/h1-8,14H,9-12H2
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n/an/a 9.12E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321168
PNG
((1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl)(4-flu...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClF2NO2/c20-17-11-15(22)5-6-16(17)19(25)23-9-7-13(8-10-23)18(24)12-1-3-14(21)4-2-12/h1-6,11,13H,7-10H2
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n/an/a 9.67E+3n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321160
PNG
(2-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)benzon...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C#N
Show InChI InChI=1S/C20H17FN2O2/c21-17-7-5-14(6-8-17)19(24)15-9-11-23(12-10-15)20(25)18-4-2-1-3-16(18)13-22/h1-8,15H,9-12H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321174
PNG
((1-(2-aminobenzoyl)piperidin-4-yl)(4-fluorophenyl)...)
Show SMILES Nc1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O2/c20-15-7-5-13(6-8-15)18(23)14-9-11-22(12-10-14)19(24)16-3-1-2-4-17(16)21/h1-8,14H,9-12,21H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321133
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(4-morpholinoph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H25FN2O3/c24-20-5-1-17(2-6-20)22(27)18-9-11-26(12-10-18)23(28)19-3-7-21(8-4-19)25-13-15-29-16-14-25/h1-8,18H,9-16H2
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n/an/a 1.35E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321149
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO3/c1-25-18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321152
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(2-(trifluorome...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C20H17F4NO3/c21-15-7-5-13(6-8-15)18(26)14-9-11-25(12-10-14)19(27)16-3-1-2-4-17(16)28-20(22,23)24/h1-8,14H,9-12H2
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n/an/a 1.83E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321132
PNG
(CHEMBL1164374 | piperidine-1,4-diylbis((4-fluoroph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H17F2NO2/c20-16-5-1-13(2-6-16)18(23)14-9-11-22(12-10-14)19(24)15-3-7-17(21)8-4-15/h1-8,14H,9-12H2
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n/an/a 2.18E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321157
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(3-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H17F2NO2/c20-16-6-4-13(5-7-16)18(23)14-8-10-22(11-9-14)19(24)15-2-1-3-17(21)12-15/h1-7,12,14H,8-11H2
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n/an/a 2.19E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321143
PNG
((1-(2,3-dimethoxybenzoyl)piperidin-4-yl)(4-fluorop...)
Show SMILES COc1cccc(C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C21H22FNO4/c1-26-18-5-3-4-17(20(18)27-2)21(25)23-12-10-15(11-13-23)19(24)14-6-8-16(22)9-7-14/h3-9,15H,10-13H2,1-2H3
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n/an/a 2.32E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321146
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(2-methoxypheny...)
Show SMILES COc1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO3/c1-25-18-5-3-2-4-17(18)20(24)22-12-10-15(11-13-22)19(23)14-6-8-16(21)9-7-14/h2-9,15H,10-13H2,1H3
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n/an/a 2.36E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321147
PNG
((1-(2,4-dimethoxybenzoyl)piperidin-4-yl)(4-fluorop...)
Show SMILES COc1ccc(C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C21H22FNO4/c1-26-17-7-8-18(19(13-17)27-2)21(25)23-11-9-15(10-12-23)20(24)14-3-5-16(22)6-4-14/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 2.37E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321170
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(3-nitrophenyl)...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O4/c20-16-6-4-13(5-7-16)18(23)14-8-10-21(11-9-14)19(24)15-2-1-3-17(12-15)22(25)26/h1-7,12,14H,8-11H2
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n/an/a 2.56E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321136
PNG
(3-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)benzen...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O4S/c20-16-6-4-13(5-7-16)18(23)14-8-10-22(11-9-14)19(24)15-2-1-3-17(12-15)27(21,25)26/h1-7,12,14H,8-11H2,(H2,21,25,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321135
PNG
(4-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O4S/c20-16-5-1-13(2-6-16)18(23)14-9-11-22(12-10-14)19(24)15-3-7-17(8-4-15)27(21,25)26/h1-8,14H,9-12H2,(H2,21,25,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321172
PNG
((1-(2,4-dichlorobenzoyl)piperidin-4-yl)(4-fluoroph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H16Cl2FNO2/c20-14-3-6-16(17(21)11-14)19(25)23-9-7-13(8-10-23)18(24)12-1-4-15(22)5-2-12/h1-6,11,13H,7-10H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321156
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(3-(methylsulfo...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO4S/c1-27(25,26)18-4-2-3-16(13-18)20(24)22-11-9-15(10-12-22)19(23)14-5-7-17(21)8-6-14/h2-8,13,15H,9-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321144
PNG
((1-(2,3-difluorobenzoyl)piperidin-4-yl)(4-fluoroph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C19H16F3NO2/c20-14-6-4-12(5-7-14)18(24)13-8-10-23(11-9-13)19(25)15-2-1-3-16(21)17(15)22/h1-7,13H,8-11H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321145
PNG
((1-(3,5-difluorobenzoyl)piperidin-4-yl)(4-fluoroph...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C19H16F3NO2/c20-15-3-1-12(2-4-15)18(24)13-5-7-23(8-6-13)19(25)14-9-16(21)11-17(22)10-14/h1-4,9-11,13H,5-8H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321165
PNG
((4-(4-fluorobenzoyl)piperidin-1-yl)(4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H20FNO4S/c1-27(25,26)18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321159
PNG
(CHEMBL1164555 | N-(3-(4-(4-fluorobenzoyl)piperidin...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O4S/c1-28(26,27)22-18-4-2-3-16(13-18)20(25)23-11-9-15(10-12-23)19(24)14-5-7-17(21)8-6-14/h2-8,13,15,22H,9-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321148
PNG
(3-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)benzon...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C20H17FN2O2/c21-18-6-4-15(5-7-18)19(24)16-8-10-23(11-9-16)20(25)17-3-1-2-14(12-17)13-22/h1-7,12,16H,8-11H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50321162
PNG
(4-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)benzon...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H17FN2O2/c21-18-7-5-15(6-8-18)19(24)16-9-11-23(12-10-16)20(25)17-3-1-14(13-22)2-4-17/h1-8,16H,9-12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca PLC

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by competitive binding assay


Bioorg Med Chem 18: 4405-14 (2010)


Article DOI: 10.1016/j.bmc.2010.04.077
BindingDB Entry DOI: 10.7270/Q2GB247Z
More data for this
Ligand-Target Pair