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PubMed code 20149650

Compile data set for download or QSAR
Found 65 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))		BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:0:1:4:6.7,8:7:2.1:4|
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
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n/an/a 0.110n/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 |r,TLB:0:1:4:6.7,8:7:2.1:4|
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
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 |r,TLB:0:1:4:6.7,8:7:2.1:4|
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))		BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:0:1:4:6.7,8:7:2.1:4|
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
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n/an/a 0.360n/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


(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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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


(Mus musculus (mouse))		BDBM50313306
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-ethoxy-8-...)
Show SMILES CCOC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:2:3:10:7.6|
Show InChI InChI=1S/C19H29NO3S/c1-5-23-17-12-15-8-9-16(13-17)20(15)24(21,22)18-10-6-14(7-11-18)19(2,3)4/h6-7,10-11,15-17H,5,8-9,12-13H2,1-4H3/t15-,16+,17?
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n/an/a 2n/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


(Mus musculus (mouse))		BDBM50313304
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-(trifluor...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(C2)C(F)(F)F |r,THB:20:19:13:16.15,22:19:13:16.15|
Show InChI InChI=1S/C18H24F3NO3S/c1-16(2,3)12-4-8-15(9-5-12)26(24,25)22-13-6-7-14(22)11-17(23,10-13)18(19,20)21/h4-5,8-9,13-14,23H,6-7,10-11H2,1-3H3/t13-,14+,17?
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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


(Mus musculus (mouse))		BDBM50313304
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-(trifluor...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(C2)C(F)(F)F |r,THB:20:19:13:16.15,22:19:13:16.15|
Show InChI InChI=1S/C18H24F3NO3S/c1-16(2,3)12-4-8-15(9-5-12)26(24,25)22-13-6-7-14(22)11-17(23,10-13)18(19,20)21/h4-5,8-9,13-14,23H,6-7,10-11H2,1-3H3/t13-,14+,17?
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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


(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 |r,TLB:10:13:20:17.16|
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


(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 |r,THB:18:17:14:12.11,8:11:16.17:14|
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))		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 |r,THB:18:17:14:12.11,8:11:16.17:14|
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


(Homo sapiens (Human))		BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9|
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.5n/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))		BDBM50313301
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-8...)
Show SMILES COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:9:6.5|
Show InChI InChI=1S/C18H27NO3S/c1-18(2,3)13-5-9-17(10-6-13)23(20,21)19-14-7-8-15(19)12-16(11-14)22-4/h5-6,9-10,14-16H,7-8,11-12H2,1-4H3/t14-,15+,16?
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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


(Mus musculus (mouse))		BDBM50313301
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-8...)
Show SMILES COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:9:6.5|
Show InChI InChI=1S/C18H27NO3S/c1-18(2,3)13-5-9-17(10-6-13)23(20,21)19-14-7-8-15(19)12-16(11-14)22-4/h5-6,9-10,14-16H,7-8,11-12H2,1-4H3/t14-,15+,16?
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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


(Mus musculus (mouse))		BDBM50313288
PNG
((1S,4S)-2-(4-methoxyphenylsulfonyl)-5-methyl-2,5-d...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C |r,THB:18:17:14:12.11,8:11:16.17:14|
Show InChI InChI=1S/C13H18N2O3S/c1-14-8-11-7-10(14)9-15(11)19(16,17)13-5-3-12(18-2)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
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n/an/a 8.88n/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))		BDBM50313289
PNG
((1S,4S)-2-(4-chlorophenylsulfonyl)-5-methyl-2,5-di...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:0:1:4:6.7,8:7:2.1:4|
Show InChI InChI=1S/C12H15ClN2O2S/c1-14-7-11-6-10(14)8-15(11)18(16,17)12-4-2-9(13)3-5-12/h2-5,10-11H,6-8H2,1H3/t10-,11-/m0/s1
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n/an/a 11.3n/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))		BDBM50313289
PNG
((1S,4S)-2-(4-chlorophenylsulfonyl)-5-methyl-2,5-di...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:0:1:4:6.7,8:7:2.1:4|
Show InChI InChI=1S/C12H15ClN2O2S/c1-14-7-11-6-10(14)8-15(11)18(16,17)12-4-2-9(13)3-5-12/h2-5,10-11H,6-8H2,1H3/t10-,11-/m0/s1
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n/an/a 12.1n/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


(Mus musculus (mouse))		BDBM50313303
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3...)
Show SMILES COC1(C)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:10:7.6,3:2:10:7.6|
Show InChI InChI=1S/C19H29NO3S/c1-18(2,3)14-6-10-17(11-7-14)24(21,22)20-15-8-9-16(20)13-19(4,12-15)23-5/h6-7,10-11,15-16H,8-9,12-13H2,1-5H3/t15-,16+,19?
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n/an/a 13n/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))		BDBM50313303
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3...)
Show SMILES COC1(C)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:10:7.6,3:2:10:7.6|
Show InChI InChI=1S/C19H29NO3S/c1-18(2,3)14-6-10-17(11-7-14)24(21,22)20-15-8-9-16(20)13-19(4,12-15)23-5/h6-7,10-11,15-16H,8-9,12-13H2,1-5H3/t15-,16+,19?
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n/an/a 14n/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


(Homo sapiens (Human))		BDBM50313288
PNG
((1S,4S)-2-(4-methoxyphenylsulfonyl)-5-methyl-2,5-d...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C |r,THB:18:17:14:12.11,8:11:16.17:14|
Show InChI InChI=1S/C13H18N2O3S/c1-14-8-11-7-10(14)9-15(11)19(16,17)13-5-3-12(18-2)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
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n/an/a 16.1n/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


(Homo sapiens (Human))		BDBM50313302
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methyl-8-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C)(O)C2 |r,THB:21:19:13:16.15,20:19:13:16.15|
Show InChI InChI=1S/C18H27NO3S/c1-17(2,3)13-5-9-16(10-6-13)23(21,22)19-14-7-8-15(19)12-18(4,20)11-14/h5-6,9-10,14-15,20H,7-8,11-12H2,1-4H3/t14-,15+,18?
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n/an/a 19n/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))		BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
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n/an/a 28n/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


(Mus musculus (mouse))		BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
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n/an/a 28n/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))		BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
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n/an/a 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


(Homo sapiens (Human))		BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
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n/an/a 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))		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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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


(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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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


(Mus musculus (mouse))		BDBM50313305
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3...)
Show SMILES COC1(C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r,TLB:1:2:9:6.5,23:2:9:6.5|
Show InChI InChI=1S/C19H26F3NO3S/c1-17(2,3)13-5-9-16(10-6-13)27(24,25)23-14-7-8-15(23)12-18(11-14,26-4)19(20,21)22/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3/t14-,15+,18?
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n/an/a 32n/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


(Mus musculus (mouse))		BDBM50313305
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3...)
Show SMILES COC1(C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r,TLB:1:2:9:6.5,23:2:9:6.5|
Show InChI InChI=1S/C19H26F3NO3S/c1-17(2,3)13-5-9-16(10-6-13)27(24,25)23-14-7-8-15(23)12-18(11-14,26-4)19(20,21)22/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3/t14-,15+,18?
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n/an/a 32n/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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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))		BDBM50313302
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methyl-8-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C)(O)C2 |r,THB:21:19:13:16.15,20:19:13:16.15|
Show InChI InChI=1S/C18H27NO3S/c1-17(2,3)13-5-9-16(10-6-13)23(21,22)19-14-7-8-15(19)12-18(4,20)11-14/h5-6,9-10,14-15,20H,7-8,11-12H2,1-4H3/t14-,15+,18?
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n/an/a 41n/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


(Mus musculus (mouse))		BDBM50313309
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C2)N=O |r,THB:21:19:13:16.15|
Show InChI InChI=1S/C17H24N2O3S/c1-17(2,3)12-4-8-16(9-5-12)23(21,22)19-14-6-7-15(19)11-13(10-14)18-20/h4-5,8-9,13-15H,6-7,10-11H2,1-3H3/t13?,14-,15+
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n/an/a 47n/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))		BDBM50117901
PNG
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)
Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
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n/an/a 52n/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 |r,TLB:10:13:20:17.16|
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))		BDBM50313301
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-8...)
Show SMILES COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:9:6.5|
Show InChI InChI=1S/C18H27NO3S/c1-18(2,3)13-5-9-17(10-6-13)23(20,21)19-14-7-8-15(19)12-16(11-14)22-4/h5-6,9-10,14-16H,7-8,11-12H2,1-4H3/t14-,15+,16?
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n/an/a 69n/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


(Homo sapiens (Human))		BDBM50313301
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-8...)
Show SMILES COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:9:6.5|
Show InChI InChI=1S/C18H27NO3S/c1-18(2,3)13-5-9-17(10-6-13)23(20,21)19-14-7-8-15(19)12-16(11-14)22-4/h5-6,9-10,14-16H,7-8,11-12H2,1-4H3/t14-,15+,16?
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n/an/a 69n/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


(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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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


(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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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))		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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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


(Mus musculus (mouse))		BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9|
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 97n/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


(Mus musculus (mouse))		BDBM50313308
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CO\N=C1/C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:2:3:10:7.6|
Show InChI InChI=1S/C18H26N2O3S/c1-18(2,3)13-5-9-17(10-6-13)24(21,22)20-15-7-8-16(20)12-14(11-15)19-23-4/h5-6,9-10,15-16H,7-8,11-12H2,1-4H3/b19-14-/t15-,16+/m1/s1
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n/an/a 103n/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


(Mus musculus (mouse))		BDBM50313299
PNG
((1S,5R)-8-(4-tert-butylphenylsulfonyl)-1-methyl-8-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@@H]2CC[C@@]1(C)CC(O)(O)C2 |r|
Show InChI InChI=1S/C18H27NO4S/c1-16(2,3)13-5-7-15(8-6-13)24(22,23)19-14-9-10-17(19,4)12-18(20,21)11-14/h5-8,14,20-21H,9-12H2,1-4H3/t14-,17+/m1/s1
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n/an/a 114n/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))		BDBM50313306
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-ethoxy-8-...)
Show SMILES CCOC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:2:3:10:7.6|
Show InChI InChI=1S/C19H29NO3S/c1-5-23-17-12-15-8-9-16(13-17)20(15)24(21,22)18-10-6-14(7-11-18)19(2,3)4/h6-7,10-11,15-17H,5,8-9,12-13H2,1-4H3/t15-,16+,17?
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n/an/a 114n/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 |r,THB:9:7:1:4.3|
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))		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 |r,THB:20:19:16:14.13,10:13:18.19:16|
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


(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 |r,TLB:10:13:20:17.16|
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))		BDBM50313298
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(O)C2 |r|
Show InChI InChI=1S/C17H25NO4S/c1-16(2,3)12-4-8-15(9-5-12)23(21,22)18-13-6-7-14(18)11-17(19,20)10-13/h4-5,8-9,13-14,19-20H,6-7,10-11H2,1-3H3/t13-,14+
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n/an/a 138n/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


(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 |r,THB:10:13:18.19:16|
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))		BDBM50313307
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1 |r,THB:21:19:13:16.15|
Show InChI InChI=1S/C24H30N2O3S/c1-24(2,3)19-9-13-23(14-10-19)30(27,28)26-21-11-12-22(26)16-20(15-21)25-29-17-18-7-5-4-6-8-18/h4-10,13-14,21-22H,11-12,15-17H2,1-3H3/b25-20-/t21-,22+/m1/s1
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n/an/a 159n/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


(Homo sapiens (Human))		BDBM50313309
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C2)N=O |r,THB:21:19:13:16.15|
Show InChI InChI=1S/C17H24N2O3S/c1-17(2,3)12-4-8-16(9-5-12)23(21,22)19-14-6-7-15(19)11-13(10-14)18-20/h4-5,8-9,13-15H,6-7,10-11H2,1-3H3/t13?,14-,15+
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n/an/a 270n/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


(Homo sapiens (Human))		BDBM50313304
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-(trifluor...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(C2)C(F)(F)F |r,THB:20:19:13:16.15,22:19:13:16.15|
Show InChI InChI=1S/C18H24F3NO3S/c1-16(2,3)12-4-8-15(9-5-12)26(24,25)22-13-6-7-14(22)11-17(23,10-13)18(19,20)21/h4-5,8-9,13-14,23H,6-7,10-11H2,1-3H3/t13-,14+,17?
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n/an/a 276n/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


(Homo sapiens (Human))		BDBM50313304
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-(trifluor...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(C2)C(F)(F)F |r,THB:20:19:13:16.15,22:19:13:16.15|
Show InChI InChI=1S/C18H24F3NO3S/c1-16(2,3)12-4-8-15(9-5-12)26(24,25)22-13-6-7-14(22)11-17(23,10-13)18(19,20)21/h4-5,8-9,13-14,23H,6-7,10-11H2,1-3H3/t13-,14+,17?
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n/an/a 276n/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


(Homo sapiens (Human))		BDBM50313295
PNG
((1R,5S)-tert-butyl 3-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,THB:15:13:7:10.9|
Show InChI InChI=1S/C21H32N2O4S/c1-20(2,3)15-7-11-18(12-8-15)28(25,26)22-13-16-9-10-17(14-22)23(16)19(24)27-21(4,5)6/h7-8,11-12,16-17H,9-10,13-14H2,1-6H3/t16-,17+
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n/an/a 309n/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


(Homo sapiens (Human))		BDBM50313305
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3...)
Show SMILES COC1(C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r,TLB:1:2:9:6.5,23:2:9:6.5|
Show InChI InChI=1S/C19H26F3NO3S/c1-17(2,3)13-5-9-16(10-6-13)27(24,25)23-14-7-8-15(23)12-18(11-14,26-4)19(20,21)22/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3/t14-,15+,18?
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n/an/a 356n/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


(Homo sapiens (Human))		BDBM50313305
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3...)
Show SMILES COC1(C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r,TLB:1:2:9:6.5,23:2:9:6.5|
Show InChI InChI=1S/C19H26F3NO3S/c1-17(2,3)13-5-9-16(10-6-13)27(24,25)23-14-7-8-15(23)12-18(11-14,26-4)19(20,21)22/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3/t14-,15+,18?
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n/an/a 356n/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


(Homo sapiens (Human))		BDBM50313290
PNG
((1S,4S)-tert-butyl 5-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:5:7:10:12.13,14:13:8.7:10|
Show InChI InChI=1S/C20H30N2O4S/c1-19(2,3)14-7-9-17(10-8-14)27(24,25)22-13-15-11-16(22)12-21(15)18(23)26-20(4,5)6/h7-10,15-16H,11-13H2,1-6H3/t15-,16-/m0/s1
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n/an/a 361n/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


(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 |r,THB:9:7:1:4.3|
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


(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 |r,TLB:10:13:20:17.16|
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))		BDBM50313295
PNG
((1R,5S)-tert-butyl 3-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,THB:15:13:7:10.9|
Show InChI InChI=1S/C21H32N2O4S/c1-20(2,3)15-7-11-18(12-8-15)28(25,26)22-13-16-9-10-17(14-22)23(16)19(24)27-21(4,5)6/h7-8,11-12,16-17H,9-10,13-14H2,1-6H3/t16-,17+
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n/an/a 692n/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))		BDBM50313299
PNG
((1S,5R)-8-(4-tert-butylphenylsulfonyl)-1-methyl-8-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@@H]2CC[C@@]1(C)CC(O)(O)C2 |r|
Show InChI InChI=1S/C18H27NO4S/c1-16(2,3)13-5-7-15(8-6-13)24(22,23)19-14-9-10-17(19,4)12-18(20,21)11-14/h5-8,14,20-21H,9-12H2,1-4H3/t14-,17+/m1/s1
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n/an/a 740n/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))		BDBM50313290
PNG
((1S,4S)-tert-butyl 5-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:5:7:10:12.13,14:13:8.7:10|
Show InChI InChI=1S/C20H30N2O4S/c1-19(2,3)14-7-9-17(10-8-14)27(24,25)22-13-15-11-16(22)12-21(15)18(23)26-20(4,5)6/h7-10,15-16H,11-13H2,1-6H3/t15-,16-/m0/s1
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n/an/a 772n/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))		BDBM50313308
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CO\N=C1/C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:2:3:10:7.6|
Show InChI InChI=1S/C18H26N2O3S/c1-18(2,3)13-5-9-17(10-6-13)24(21,22)20-15-7-8-16(20)12-14(11-15)19-23-4/h5-6,9-10,15-16H,7-8,11-12H2,1-4H3/b19-14-/t15-,16+/m1/s1
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n/an/a 860n/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))		BDBM50313307
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1 |r,THB:21:19:13:16.15|
Show InChI InChI=1S/C24H30N2O3S/c1-24(2,3)19-9-13-23(14-10-19)30(27,28)26-21-11-12-22(26)16-20(15-21)25-29-17-18-7-5-4-6-8-18/h4-10,13-14,21-22H,11-12,15-17H2,1-3H3/b25-20-/t21-,22+/m1/s1
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n/an/a 989n/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))		BDBM50313298
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(O)C2 |r|
Show InChI InChI=1S/C17H25NO4S/c1-16(2,3)12-4-8-15(9-5-12)23(21,22)18-13-6-7-14(18)11-17(19,20)10-13/h4-5,8-9,13-14,19-20H,6-7,10-11H2,1-3H3/t13-,14+
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n/an/a 1.62E+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


(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 |r,THB:10:13:18.19:16|
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
* indicates data uncertainty>20%