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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 50000561   
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))		BDBM50253406
PNG
(CHEMBL4101787)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-20(21-8-10-22(11-9-21)23-12-16-27-17-13-23)28-18-15-26(14-5-19-29,31-25(28)30)24-6-3-2-4-7-24/h2-4,6-13,16-17,20,29H,5,14-15,18-19H2,1H3/t20-,26+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253514
PNG
(CHEMBL4075869)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-19(20-8-10-21(11-9-20)22-16-24(27)18-28-17-22)29-14-13-26(12-5-15-30,32-25(29)31)23-6-3-2-4-7-23/h2-4,6-11,16-19,30H,5,12-15H2,1H3/t19-,26+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253514
PNG
(CHEMBL4075869)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-19(20-8-10-21(11-9-20)22-16-24(27)18-28-17-22)29-14-13-26(12-5-15-30,32-25(29)31)23-6-3-2-4-7-23/h2-4,6-11,16-19,30H,5,12-15H2,1H3/t19-,26+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253406
PNG
(CHEMBL4101787)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-20(21-8-10-22(11-9-21)23-12-16-27-17-13-23)28-18-15-26(14-5-19-29,31-25(28)30)24-6-3-2-4-7-24/h2-4,6-13,16-17,20,29H,5,14-15,18-19H2,1H3/t20-,26+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253513
PNG
(CHEMBL4060843)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-20(21-11-13-22(14-12-21)24-10-5-6-17-27-24)28-18-16-26(15-7-19-29,31-25(28)30)23-8-3-2-4-9-23/h2-6,8-14,17,20,29H,7,15-16,18-19H2,1H3/t20-,26+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253398
PNG
(CHEMBL4096179)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cn1 |r|
Show InChI InChI=1S/C27H29FN2O3/c1-19(20-9-11-21(12-10-20)24-14-13-23(28)17-29-24)30-16-15-27(33-25(30)31,18-26(2,3)32)22-7-5-4-6-8-22/h4-14,17,19,32H,15-16,18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253336
PNG
(CHEMBL4069717)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-20(21-10-12-22(13-11-21)23-14-15-25(33-4)29-18-23)30-17-16-28(34-26(30)31,19-27(2,3)32)24-8-6-5-7-9-24/h5-15,18,20,32H,16-17,19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253507
PNG
(CHEMBL4090672)
Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C22H26BrFN2O4S/c1-16(17-4-8-19(23)9-5-17)26-15-13-22(30-21(26)27,12-3-14-25-31(2,28)29)18-6-10-20(24)11-7-18/h4-11,16,25H,3,12-15H2,1-2H3/t16-,22+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253513
PNG
(CHEMBL4060843)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-20(21-11-13-22(14-12-21)24-10-5-6-17-27-24)28-18-16-26(15-7-19-29,31-25(28)30)23-8-3-2-4-9-23/h2-6,8-14,17,20,29H,7,15-16,18-19H2,1H3/t20-,26+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253507
PNG
(CHEMBL4090672)
Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C22H26BrFN2O4S/c1-16(17-4-8-19(23)9-5-17)26-15-13-22(30-21(26)27,12-3-14-25-31(2,28)29)18-6-10-20(24)11-7-18/h4-11,16,25H,3,12-15H2,1-2H3/t16-,22+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253404
PNG
(CHEMBL4103620)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C23H27F2NO4/c1-16(17-9-11-19(12-10-17)29-20(24)25)26-14-13-23(30-21(26)27,15-22(2,3)28)18-7-5-4-6-8-18/h4-12,16,20,28H,13-15H2,1-3H3/t16-,23-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253337
PNG
(CHEMBL4090128)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C28H29N3O3/c1-20(22-10-12-23(13-11-22)25-14-9-21(17-29)18-30-25)31-16-15-28(34-26(31)32,19-27(2,3)33)24-7-5-4-6-8-24/h4-14,18,20,33H,15-16,19H2,1-3H3/t20-,28-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253506
PNG
(CHEMBL4072907)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C23H24BrFN2O2/c1-16(17-4-8-19(24)9-5-17)27-13-12-23(29-21(27)28,14-22(2,3)15-26)18-6-10-20(25)11-7-18/h4-11,16H,12-14H2,1-3H3/t16-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253506
PNG
(CHEMBL4072907)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C23H24BrFN2O2/c1-16(17-4-8-19(24)9-5-17)27-13-12-23(29-21(27)28,14-22(2,3)15-26)18-6-10-20(25)11-7-18/h4-11,16H,12-14H2,1-3H3/t16-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253405
PNG
(CHEMBL4070571)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-20(21-10-12-22(13-11-21)23-7-5-16-27-19-23)28-17-15-26(14-6-18-29,31-25(28)30)24-8-3-2-4-9-24/h2-5,7-13,16,19-20,29H,6,14-15,17-18H2,1H3/t20-,26+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353386
PNG
(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C26H24F3NO3/c1-17(18-2-4-19(5-3-18)23-11-10-22(28)16-24(23)29)30-14-12-26(13-15-31,33-25(30)32)20-6-8-21(27)9-7-20/h2-11,16-17,31H,12-15H2,1H3/t17-,26-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253398
PNG
(CHEMBL4096179)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cn1 |r|
Show InChI InChI=1S/C27H29FN2O3/c1-19(20-9-11-21(12-10-20)24-14-13-23(28)17-29-24)30-16-15-27(33-25(30)31,18-26(2,3)32)22-7-5-4-6-8-22/h4-14,17,19,32H,15-16,18H2,1-3H3/t19-,27-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM107487
PNG
(US8575157, 201 | US8592410, Comparator 13 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C22H25BrFNO3/c1-15(16-4-8-18(23)9-5-16)25-13-12-22(28-20(25)26,14-21(2,3)27)17-6-10-19(24)11-7-17/h4-11,15,27H,12-14H2,1-3H3/t15-,22-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253336
PNG
(CHEMBL4069717)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-20(21-10-12-22(13-11-21)23-14-15-25(33-4)29-18-23)30-17-16-28(34-26(30)31,19-27(2,3)32)24-8-6-5-7-9-24/h5-15,18,20,32H,16-17,19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253339
PNG
(CHEMBL4064441)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cnc(C)cn1 |r|
Show InChI InChI=1S/C27H31N3O3/c1-19-16-29-24(17-28-19)22-12-10-21(11-13-22)20(2)30-15-14-27(33-25(30)31,18-26(3,4)32)23-8-6-5-7-9-23/h5-13,16-17,20,32H,14-15,18H2,1-4H3/t20-,27-/m0/s1
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Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253405
PNG
(CHEMBL4070571)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-20(21-10-12-22(13-11-21)23-7-5-16-27-19-23)28-17-15-26(14-6-18-29,31-25(28)30)24-8-3-2-4-9-24/h2-5,7-13,16,19-20,29H,6,14-15,17-18H2,1H3/t20-,26+/m0/s1
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Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253397
PNG
(CHEMBL4063121)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C27H31N3O4/c1-19(20-10-12-21(13-11-20)23-14-15-24(31)29(4)28-23)30-17-16-27(34-25(30)32,18-26(2,3)33)22-8-6-5-7-9-22/h5-15,19,33H,16-18H2,1-4H3/t19-,27-/m0/s1
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Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253337
PNG
(CHEMBL4090128)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C28H29N3O3/c1-20(22-10-12-23(13-11-22)25-14-9-21(17-29)18-30-25)31-16-15-28(34-26(31)32,19-27(2,3)33)24-7-5-4-6-8-24/h4-14,18,20,33H,15-16,19H2,1-3H3/t20-,28-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253338
PNG
(CHEMBL4076599)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(cn1)C(N)=O |r|
Show InChI InChI=1S/C28H31N3O4/c1-19(20-9-11-21(12-10-20)24-14-13-22(17-30-24)25(29)32)31-16-15-28(35-26(31)33,18-27(2,3)34)23-7-5-4-6-8-23/h4-14,17,19,34H,15-16,18H2,1-3H3,(H2,29,32)/t19-,28-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253401
PNG
(CHEMBL4099792)
Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C21H22BrFN2O3/c1-14(15-2-6-17(22)7-3-15)25-13-12-21(28-20(25)27,11-10-19(24)26)16-4-8-18(23)9-5-16/h2-9,14H,10-13H2,1H3,(H2,24,26)/t14-,21+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253339
PNG
(CHEMBL4064441)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cnc(C)cn1 |r|
Show InChI InChI=1S/C27H31N3O3/c1-19-16-29-24(17-28-19)22-12-10-21(11-13-22)20(2)30-15-14-27(33-25(30)31,18-26(3,4)32)23-8-6-5-7-9-23/h5-13,16-17,20,32H,14-15,18H2,1-4H3/t20-,27-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253403
PNG
(CHEMBL4079355)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C23H26F3NO4/c1-15(16-4-10-19(11-5-16)30-20(25)26)27-13-12-23(31-21(27)28,14-22(2,3)29)17-6-8-18(24)9-7-17/h4-11,15,20,29H,12-14H2,1-3H3/t15-,23-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253335
PNG
(CHEMBL4072112)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C29H34N2O3/c1-20-17-25(18-21(2)30-20)24-13-11-23(12-14-24)22(3)31-16-15-29(34-27(31)32,19-28(4,5)33)26-9-7-6-8-10-26/h6-14,17-18,22,33H,15-16,19H2,1-5H3/t22-,29-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253399
PNG
(CHEMBL4075178)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(C)nn1 |r|
Show InChI InChI=1S/C27H31N3O3/c1-19-10-15-24(29-28-19)22-13-11-21(12-14-22)20(2)30-17-16-27(33-25(30)31,18-26(3,4)32)23-8-6-5-7-9-23/h5-15,20,32H,16-18H2,1-4H3/t20-,27-/m0/s1
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Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253407
PNG
(CHEMBL4075665)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C28H32N2O3/c1-20-18-25(19-21(2)29-20)24-12-10-23(11-13-24)22(3)30-16-15-28(14-7-17-31,33-27(30)32)26-8-5-4-6-9-26/h4-6,8-13,18-19,22,31H,7,14-17H2,1-3H3/t22-,28+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253404
PNG
(CHEMBL4103620)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C23H27F2NO4/c1-16(17-9-11-19(12-10-17)29-20(24)25)26-14-13-23(30-21(26)27,15-22(2,3)28)18-7-5-4-6-8-18/h4-12,16,20,28H,13-15H2,1-3H3/t16-,23-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM108092
PNG
(US8598163, 3)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
Show InChI InChI=1S/C28H30N4O3/c1-20(21-9-11-22(12-10-21)23-13-14-25-29-19-30-32(25)17-23)31-16-15-28(35-26(31)33,18-27(2,3)34)24-7-5-4-6-8-24/h4-14,17,19-20,34H,15-16,18H2,1-3H3/t20-,28-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM107656
PNG
(US8575157, 30)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C27H30N2O4/c1-20(21-9-11-22(12-10-21)23-13-14-25(31)28(2)19-23)29-17-16-27(15-6-18-30,33-26(29)32)24-7-4-3-5-8-24/h3-5,7-14,19-20,30H,6,15-18H2,1-2H3/t20-,27+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253515
PNG
(CHEMBL4084288)
Show SMILES C[C@H](N1CC[C@@](CCn2ccnc2)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C29H26F3N3O2/c1-20(21-2-4-22(5-3-21)26-11-10-25(31)18-27(26)32)35-16-13-29(37-28(35)36,12-15-34-17-14-33-19-34)23-6-8-24(30)9-7-23/h2-11,14,17-20H,12-13,15-16H2,1H3/t20-,29+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM107661
PNG
(US8575157, 37)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-20(21-10-12-22(13-11-21)23-14-15-25(31)29(4)18-23)30-17-16-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24/h5-15,18,20,33H,16-17,19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253338
PNG
(CHEMBL4076599)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(cn1)C(N)=O |r|
Show InChI InChI=1S/C28H31N3O4/c1-19(20-9-11-21(12-10-20)24-14-13-22(17-30-24)25(29)32)31-16-15-28(35-26(31)33,18-27(2,3)34)23-7-5-4-6-8-23/h4-14,17,19,34H,15-16,18H2,1-3H3,(H2,29,32)/t19-,28-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253400
PNG
(CHEMBL4067153)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ncc(s1)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C29H33N3O4S/c1-19(20-9-11-21(12-10-20)26-30-17-24(37-26)25(33)31-23-13-14-23)32-16-15-29(36-27(32)34,18-28(2,3)35)22-7-5-4-6-8-22/h4-12,17,19,23,35H,13-16,18H2,1-3H3,(H,31,33)/t19-,29-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM107664
PNG
(US8575157, 48)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-20(21-10-12-22(13-11-21)23-14-16-29(4)25(31)18-23)30-17-15-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24/h5-14,16,18,20,33H,15,17,19H2,1-4H3/t20-,28-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253504
PNG
(CHEMBL4102254)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C20H21BrFNO3/c1-14(15-2-6-17(21)7-3-15)23-12-10-20(11-13-24,26-19(23)25)16-4-8-18(22)9-5-16/h2-9,14,24H,10-13H2,1H3/t14-,20-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253397
PNG
(CHEMBL4063121)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C27H31N3O4/c1-19(20-10-12-21(13-11-20)23-14-15-24(31)29(4)28-23)30-17-16-27(34-25(30)32,18-26(2,3)33)22-8-6-5-7-9-22/h5-15,19,33H,16-18H2,1-4H3/t19-,27-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM107487
PNG
(US8575157, 201 | US8592410, Comparator 13 | US8598...)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C22H25BrFNO3/c1-15(16-4-8-18(23)9-5-16)25-13-12-22(28-20(25)26,14-21(2,3)27)17-6-10-19(24)11-7-17/h4-11,15,27H,12-14H2,1-3H3/t15-,22-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253409
PNG
(CHEMBL4100755)
Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C22H23F3N2O4/c1-14(15-2-8-18(9-3-15)30-20(24)25)27-13-12-22(31-21(27)29,11-10-19(26)28)16-4-6-17(23)7-5-16/h2-9,14,20H,10-13H2,1H3,(H2,26,28)/t14-,22+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253402
PNG
(CHEMBL4076820)
Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C22H24F2N2O4/c1-15(16-7-9-18(10-8-16)29-20(23)24)26-14-13-22(30-21(26)28,12-11-19(25)27)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H2,25,27)/t15-,22+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253402
PNG
(CHEMBL4076820)
Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C22H24F2N2O4/c1-15(16-7-9-18(10-8-16)29-20(23)24)26-14-13-22(30-21(26)28,12-11-19(25)27)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H2,25,27)/t15-,22+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253407
PNG
(CHEMBL4075665)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C28H32N2O3/c1-20-18-25(19-21(2)29-20)24-12-10-23(11-13-24)22(3)30-16-15-28(14-7-17-31,33-27(30)32)26-8-5-4-6-9-26/h4-6,8-13,18-19,22,31H,7,14-17H2,1-3H3/t22-,28+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253509
PNG
(CHEMBL4076033)
Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C22H25FN2O3/c1-15-3-5-17(6-4-15)16(2)25-14-13-22(28-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h3-10,16H,11-14H2,1-2H3,(H2,24,26)/t16-,22+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253516
PNG
(CHEMBL4075986)
Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H22ClFN2O3/c1-14(15-2-6-17(22)7-3-15)25-13-12-21(28-20(25)27,11-10-19(24)26)16-4-8-18(23)9-5-16/h2-9,14H,10-13H2,1H3,(H2,24,26)/t14-,21+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253408
PNG
(CHEMBL4066654)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CCCO)(OC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O4/c1-20(21-9-11-22(12-10-21)23-13-14-25(32-2)28-19-23)29-17-16-27(15-6-18-30,33-26(29)31)24-7-4-3-5-8-24/h3-5,7-14,19-20,30H,6,15-18H2,1-2H3/t20-,27+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253396
PNG
(CHEMBL4105041)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C27H31N3O3/c1-19(21-10-12-22(13-11-21)23-16-28-20(2)29-17-23)30-15-14-27(33-25(30)31,18-26(3,4)32)24-8-6-5-7-9-24/h5-13,16-17,19,32H,14-15,18H2,1-4H3/t19-,27-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50253399
PNG
(CHEMBL4075178)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(C)nn1 |r|
Show InChI InChI=1S/C27H31N3O3/c1-19-10-15-24(29-28-19)22-13-11-21(12-14-22)20(2)30-17-16-27(33-25(30)31,18-26(3,4)32)23-8-6-5-7-9-23/h5-15,20,32H,16-18H2,1-4H3/t20-,27-/m0/s1
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Similars
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...

Bioorg Med Chem 25: 3649-3657 (2017)


Article DOI: 10.1016/j.bmc.2017.04.033
BindingDB Entry DOI: 10.7270/Q2KS6V0F
More data for this
Ligand-Target Pair
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