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PubMed code 20045318

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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))
BDBM50309943
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C29H21NO5S/c31-25(22-17-15-21(16-18-22)20-9-3-1-4-10-20)19-30-27(28(32)23-11-5-2-6-12-23)29(33)24-13-7-8-14-26(24)36(30,34)35/h1-18,33H,19H2
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n/an/a 28n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309944
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H16N2O7S/c26-19(15-10-12-17(13-11-15)25(29)30)14-24-21(22(27)16-6-2-1-3-7-16)23(28)18-8-4-5-9-20(18)33(24,31)32/h1-13,28H,14H2
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n/an/a 30n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309945
PNG
(4-[2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C25H19NO7S/c1-33-25(30)18-13-11-16(12-14-18)20(27)15-26-22(23(28)17-7-3-2-4-8-17)24(29)19-9-5-6-10-21(19)34(26,31)32/h2-14,29H,15H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309934
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-19(16-9-3-1-4-10-16)15-24-21(22(26)17-11-5-2-6-12-17)23(27)18-13-7-8-14-20(18)30(24,28)29/h1-14,27H,15H2
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n/an/a 31n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309946
PNG
(4-[2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H16N2O5S/c25-14-16-10-12-17(13-11-16)20(27)15-26-22(23(28)18-6-2-1-3-7-18)24(29)19-8-4-5-9-21(19)32(26,30)31/h1-13,29H,15H2
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n/an/a 40n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309940
PNG
((4-Hydroxy-1,1-dioxo-2-phenethyl-1,2-dihydro-1lamb...)
Show SMILES OC1=C(N(CCc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H19NO4S/c25-22(18-11-5-2-6-12-18)21-23(26)19-13-7-8-14-20(19)29(27,28)24(21)16-15-17-9-3-1-4-10-17/h1-14,26H,15-16H2
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n/an/a 234n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309939
PNG
((2-Benzyl-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C22H17NO4S/c24-21(17-11-5-2-6-12-17)20-22(25)18-13-7-8-14-19(18)28(26,27)23(20)15-16-9-3-1-4-10-16/h1-14,25H,15H2
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n/an/a 254n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309936
PNG
((4-Hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H13NO4S/c1-17-14(15(18)11-7-3-2-4-8-11)16(19)12-9-5-6-10-13(12)22(17,20)21/h2-10,19H,1H3
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n/an/a 388n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50247012
PNG
(3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309937
PNG
(2-(3-Benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambd...)
Show SMILES CN1C(C(=O)c2ccccc2)=C(OCC(=O)c2ccccc2)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C24H19NO5S/c1-25-22(23(27)18-12-6-3-7-13-18)24(19-14-8-9-15-21(19)31(25,28)29)30-16-20(26)17-10-4-2-5-11-17/h2-15H,16H2,1H3
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n/an/a 547n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309947
PNG
(4-[2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C24H17NO7S/c26-19(15-10-12-17(13-11-15)24(29)30)14-25-21(22(27)16-6-2-1-3-7-16)23(28)18-8-4-5-9-20(18)33(25,31)32/h1-13,28H,14H2,(H,29,30)
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n/an/a 720n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309941
PNG
(CHEMBL592725 | Trifluoro-methanesulfonic acid 3-be...)
Show SMILES FC(F)(F)S(=O)(=O)OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H16F3NO7S2/c25-24(26,27)37(33,34)35-23-18-13-7-8-14-20(18)36(31,32)28(15-19(29)16-9-3-1-4-10-16)21(23)22(30)17-11-5-2-6-12-17/h1-14H,15H2
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n/an/a 740n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309942
PNG
(4-Hydroxy-1,1-dioxo-2-(2-oxo-2-phenyl-ethyl)-1,2-d...)
Show SMILES CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1
Show InChI InChI=1S/C19H17NO6S/c1-2-26-19(23)17-18(22)14-10-6-7-11-16(14)27(24,25)20(17)12-15(21)13-8-4-3-5-9-13/h3-11,22H,2,12H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309938
PNG
(4-Hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6...)
Show SMILES CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
Show InChI InChI=1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50309934
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-19(16-9-3-1-4-10-16)15-24-21(22(26)17-11-5-2-6-12-17)23(27)18-13-7-8-14-20(18)30(24,28)29/h1-14,27H,15H2
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n/an/a 7.80E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse C2C12 cells by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50309946
PNG
(4-[2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H16N2O5S/c25-14-16-10-12-17(13-11-16)20(27)15-26-22(23(28)18-6-2-1-3-7-18)24(29)19-8-4-5-9-21(19)32(26,30)31/h1-13,29H,15H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse C2C12 cells by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309935
PNG
((4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO4S/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)21(19,20)16-13/h1-9,16,18H
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n/an/a 1.48E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50309934
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-19(16-9-3-1-4-10-16)15-24-21(22(26)17-11-5-2-6-12-17)23(27)18-13-7-8-14-20(18)30(24,28)29/h1-14,27H,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%