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9 similar compounds to monomer 50313285

Compile data set for download or QSAR
Wt: 280.3
BDBM50313287
Wt: 294.4
BDBM50313291
Wt: 322.4
BDBM50313286
Wt: 388.5
BDBM50313292
Wt: 376.5
BDBM50313293
Wt: 308.4
BDBM50313294
Wt: 322.4
BDBM50313296
Wt: 376.5
BDBM50313297
Wt: 362.5
BDBM50313310

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50313287,50313291,50313286,50313292,50313293,50313294,50313296,50313297,50313310   
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))
BDBM50313286
PNG
((1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1
Show InChI InChI=1S/C17H26N2O2S/c1-17(2,3)10-13-5-7-16(8-6-13)22(20,21)19-12-14-9-15(19)11-18(14)4/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313310
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopent...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCC1
Show InChI InChI=1S/C20H30N2O2S/c1-20(2,3)15-8-10-19(11-9-15)25(23,24)22-14-17-12-18(22)13-21(17)16-6-4-5-7-16/h8-11,16-18H,4-7,12-14H2,1-3H3/t17-,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313287
PNG
((1S,4S)-2-(4-ethylphenylsulfonyl)-5-methyl-2,5-dia...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C14H20N2O2S/c1-3-11-4-6-14(7-5-11)19(17,18)16-10-12-8-13(16)9-15(12)2/h4-7,12-13H,3,8-10H2,1-2H3/t12-,13-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313287
PNG
((1S,4S)-2-(4-ethylphenylsulfonyl)-5-methyl-2,5-dia...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C14H20N2O2S/c1-3-11-4-6-14(7-5-11)19(17,18)16-10-12-8-13(16)9-15(12)2/h4-7,12-13H,3,8-10H2,1-2H3/t12-,13-/m0/s1
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n/an/a 3.09n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313291
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-2,5-diazabi...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C15H22N2O2S/c1-15(2,3)11-4-6-14(7-5-11)20(18,19)17-10-12-8-13(17)9-16-12/h4-7,12-13,16H,8-10H2,1-3H3/t12-,13-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313291
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-2,5-diazabi...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C15H22N2O2S/c1-15(2,3)11-4-6-14(7-5-11)20(18,19)17-10-12-8-13(17)9-16-12/h4-7,12-13,16H,8-10H2,1-3H3/t12-,13-/m0/s1
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n/an/a 156n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313292
PNG
((1S,4S)-2-(bicyclo[2.2.1]heptan-2-yl)-5-(4-tert-bu...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2
Show InChI InChI=1S/C22H32N2O2S/c1-22(2,3)17-6-8-20(9-7-17)27(25,26)24-14-18-12-19(24)13-23(18)21-11-15-4-5-16(21)10-15/h6-9,15-16,18-19,21H,4-5,10-14H2,1-3H3/t15?,16?,18-,19-,21?/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313292
PNG
((1S,4S)-2-(bicyclo[2.2.1]heptan-2-yl)-5-(4-tert-bu...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2
Show InChI InChI=1S/C22H32N2O2S/c1-22(2,3)17-6-8-20(9-7-17)27(25,26)24-14-18-12-19(24)13-23(18)21-11-15-4-5-16(21)10-15/h6-9,15-16,18-19,21H,4-5,10-14H2,1-3H3/t15?,16?,18-,19-,21?/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313292
PNG
((1S,4S)-2-(bicyclo[2.2.1]heptan-2-yl)-5-(4-tert-bu...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2
Show InChI InChI=1S/C22H32N2O2S/c1-22(2,3)17-6-8-20(9-7-17)27(25,26)24-14-18-12-19(24)13-23(18)21-11-15-4-5-16(21)10-15/h6-9,15-16,18-19,21H,4-5,10-14H2,1-3H3/t15?,16?,18-,19-,21?/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313292
PNG
((1S,4S)-2-(bicyclo[2.2.1]heptan-2-yl)-5-(4-tert-bu...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2
Show InChI InChI=1S/C22H32N2O2S/c1-22(2,3)17-6-8-20(9-7-17)27(25,26)24-14-18-12-19(24)13-23(18)21-11-15-4-5-16(21)10-15/h6-9,15-16,18-19,21H,4-5,10-14H2,1-3H3/t15?,16?,18-,19-,21?/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313293
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclohexy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCCC1
Show InChI InChI=1S/C21H32N2O2S/c1-21(2,3)16-9-11-20(12-10-16)26(24,25)23-15-18-13-19(23)14-22(18)17-7-5-4-6-8-17/h9-12,17-19H,4-8,13-15H2,1-3H3/t18-,19-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313293
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclohexy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCCC1
Show InChI InChI=1S/C21H32N2O2S/c1-21(2,3)16-9-11-20(12-10-16)26(24,25)23-15-18-13-19(23)14-22(18)17-7-5-4-6-8-17/h9-12,17-19H,4-8,13-15H2,1-3H3/t18-,19-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313294
PNG
((1R,5S)-3-(4-tert-butylphenylsulfonyl)-3,8-diazabi...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-4-8-15(9-5-12)21(19,20)18-10-13-6-7-14(11-18)17-13/h4-5,8-9,13-14,17H,6-7,10-11H2,1-3H3/t13-,14+
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n/an/a 547n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313294
PNG
((1R,5S)-3-(4-tert-butylphenylsulfonyl)-3,8-diazabi...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-4-8-15(9-5-12)21(19,20)18-10-13-6-7-14(11-18)17-13/h4-5,8-9,13-14,17H,6-7,10-11H2,1-3H3/t13-,14+
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313296
PNG
((1R,5S)-3-(4-tert-butylphenylsulfonyl)-8-methyl-3,...)
Show SMILES CN1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H26N2O2S/c1-17(2,3)13-5-9-16(10-6-13)22(20,21)19-11-14-7-8-15(12-19)18(14)4/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3/t14-,15+
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n/an/a 478n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313296
PNG
((1R,5S)-3-(4-tert-butylphenylsulfonyl)-8-methyl-3,...)
Show SMILES CN1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H26N2O2S/c1-17(2,3)13-5-9-16(10-6-13)22(20,21)19-11-14-7-8-15(12-19)18(14)4/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3/t14-,15+
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n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313297
PNG
((1R,5S)-3-(4-tert-butylphenylsulfonyl)-8-cyclopent...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCCC1
Show InChI InChI=1S/C21H32N2O2S/c1-21(2,3)16-8-12-20(13-9-16)26(24,25)22-14-18-10-11-19(15-22)23(18)17-6-4-5-7-17/h8-9,12-13,17-19H,4-7,10-11,14-15H2,1-3H3/t18-,19+
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n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313297
PNG
((1R,5S)-3-(4-tert-butylphenylsulfonyl)-8-cyclopent...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCCC1
Show InChI InChI=1S/C21H32N2O2S/c1-21(2,3)16-8-12-20(13-9-16)26(24,25)22-14-18-10-11-19(15-22)23(18)17-6-4-5-7-17/h8-9,12-13,17-19H,4-7,10-11,14-15H2,1-3H3/t18-,19+
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313310
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopent...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCC1
Show InChI InChI=1S/C20H30N2O2S/c1-20(2,3)15-8-10-19(11-9-15)25(23,24)22-14-17-12-18(22)13-21(17)16-6-4-5-7-16/h8-11,16-18H,4-7,12-14H2,1-3H3/t17-,18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313286
PNG
((1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1
Show InChI InChI=1S/C17H26N2O2S/c1-17(2,3)10-13-5-7-16(8-6-13)22(20,21)19-12-14-9-15(19)11-18(14)4/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair