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Compile Data Set for Download or QSAR

Found 444 hits with Last Name = 'kruk' and Initial = 'ba'   
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))		BDBM50353392
PNG
(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H28FNO3/c1-20(21-8-10-22(11-9-21)23-12-14-25(28)15-13-23)29-18-17-27(16-5-19-30,32-26(29)31)24-6-3-2-4-7-24/h2-4,6-15,20,30H,5,16-19H2,1H3/t20-,27+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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 0.400n/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))		BDBM50329315
PNG
((R)-3-(3-Cyano-pyridin-2-ylamino)-pyrrolidine-1-ca...)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(3.85,-46.65,;5.2,-45.88,;5.2,-44.34,;6.53,-46.66,;5.34,-47.93,;6.84,-47.51,;8.24,-48.08,;9.26,-46.8,;7.86,-47.15,;9.27,-45.27,;10.61,-44.52,;11.94,-45.3,;11.92,-46.84,;13.28,-44.54,;13.3,-43,;14.78,-42.54,;15.66,-43.8,;14.74,-45.03,;17.2,-43.83,;17.99,-42.51,;17.24,-41.17,;18.03,-39.85,;19.58,-39.87,;20.32,-41.22,;19.53,-42.54,;20.28,-43.88,;21.03,-45.23,;7.87,-44.69,;6.83,-45.93,;6.53,-45.17,)|
Show InChI InChI=1S/C22H27N5O3/c23-11-14-2-1-4-25-19(14)26-17-3-5-27(12-17)21(29)30-18-15-6-13-7-16(18)10-22(8-13,9-15)20(24)28/h1-2,4,13,15-18H,3,5-10,12H2,(H2,24,28)(H,25,26)/t13?,15?,16?,17-,18-,22-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353390
PNG
(CHEMBL1829768 | US8575157, 193 | US8592410, Compar...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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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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))		BDBM50353407
PNG
(CHEMBL1829760)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H26FNO3/c1-19(20-7-9-21(10-8-20)22-11-13-24(27)14-12-22)28-17-15-26(16-18-29,31-25(28)30)23-5-3-2-4-6-23/h2-14,19,29H,15-18H2,1H3/t19-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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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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))		BDBM50306433
PNG
(CHEMBL601211 | N-(adamantan-2-yl)-7-bromo-3-(carba...)
Show SMILES NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
Show InChI InChI=1S/C26H34BrN3O2/c27-21-3-1-2-20-19(13-22(28)31)14-26(23(20)21)4-6-30(7-5-26)25(32)29-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H2,28,31)(H,29,32)
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n/an/a 0.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50329313
PNG
((S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Show SMILES NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)|
Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-4-27-18(16)28-15-3-5-29(11-15)20(31)32-17-13-6-12-7-14(17)10-21(8-12,9-13)19(26)30/h1-2,4,12-15,17H,3,5-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,17-,21+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50329309
PNG
((R)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(7.67,-22.53,;9.01,-21.75,;9.02,-20.21,;10.35,-22.53,;9.16,-23.81,;10.66,-23.39,;12.06,-23.95,;13.08,-22.68,;11.68,-23.02,;13.09,-21.15,;14.43,-20.39,;15.75,-21.17,;15.74,-22.71,;17.1,-20.41,;17.12,-18.87,;18.6,-18.42,;19.48,-19.68,;18.55,-20.91,;21.02,-19.7,;21.81,-18.38,;21.06,-17.05,;21.85,-15.73,;23.39,-15.75,;24.14,-17.09,;23.35,-18.41,;24.1,-19.76,;23.3,-21.08,;25.64,-19.79,;24.86,-21.09,;11.69,-20.57,;10.65,-21.8,;10.35,-21.05,)|
Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-4-27-18(16)28-15-3-5-29(11-15)20(31)32-17-13-6-12-7-14(17)10-21(8-12,9-13)19(26)30/h1-2,4,12-15,17H,3,5-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,17-,21-/m1/s1
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n/an/a 0.550n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
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))		BDBM50353394
PNG
(CHEMBL1829767)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-3-5-21(6-4-20)22-7-11-24(28)12-8-22)30-17-16-27(15-2-18-31,33-26(30)32)23-9-13-25(29)14-10-23/h3-14,19,31H,2,15-18H2,1H3/t19-,27+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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))		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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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))		BDBM50353400
PNG
(CHEMBL1829762)
Show SMILES CC[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H30FNO3/c1-2-26(23-11-9-21(10-12-23)22-13-15-25(29)16-14-22)30-19-18-28(17-6-20-31,33-27(30)32)24-7-4-3-5-8-24/h3-5,7-16,26,31H,2,6,17-20H2,1H3/t26-,28+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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))		BDBM50353405
PNG
(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-8-10-21(11-9-20)24-13-12-23(28)18-25(24)29)30-16-15-27(14-5-17-31,33-26(30)32)22-6-3-2-4-7-22/h2-4,6-13,18-19,31H,5,14-17H2,1H3/t19-,27+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353392
PNG
(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H28FNO3/c1-20(21-8-10-22(11-9-21)23-12-14-25(28)15-13-23)29-18-17-27(16-5-19-30,32-26(29)31)24-6-3-2-4-7-24/h2-4,6-15,20,30H,5,16-19H2,1H3/t20-,27+/m0/s1
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Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50329313
PNG
((S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Show SMILES NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)|
Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-4-27-18(16)28-15-3-5-29(11-15)20(31)32-17-13-6-12-7-14(17)10-21(8-12,9-13)19(26)30/h1-2,4,12-15,17H,3,5-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,17-,21+/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50329312
PNG
((R)-3-(6-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1cccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(4.49,-33.95,;5.83,-33.18,;5.84,-31.64,;7.17,-33.96,;5.98,-35.23,;7.48,-34.81,;8.88,-35.38,;9.9,-34.1,;8.5,-34.45,;9.91,-32.57,;11.25,-31.82,;12.57,-32.6,;12.56,-34.14,;13.92,-31.84,;13.94,-30.29,;15.41,-29.84,;16.3,-31.1,;15.37,-32.33,;17.84,-31.13,;18.63,-29.81,;20.17,-29.84,;20.96,-28.52,;20.21,-27.17,;18.66,-27.15,;17.88,-28.47,;17.91,-25.81,;18.7,-24.48,;16.37,-25.79,;17.13,-24.47,;8.51,-31.99,;7.47,-33.23,;7.16,-32.47,)|
Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-3-17(28-16)27-15-4-5-29(11-15)20(31)32-18-13-6-12-7-14(18)10-21(8-12,9-13)19(26)30/h1-3,12-15,18H,4-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,18-,21-/m1/s1
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n/an/a 0.670n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353394
PNG
(CHEMBL1829767)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-3-5-21(6-4-20)22-7-11-24(28)12-8-22)30-17-16-27(15-2-18-31,33-26(30)32)23-9-13-25(29)14-10-23/h3-14,19,31H,2,15-18H2,1H3/t19-,27+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353406
PNG
(CHEMBL1829758)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C26H25F2NO3/c1-18(19-7-9-20(10-8-19)23-12-11-22(27)17-24(23)28)29-15-13-26(14-16-30,32-25(29)31)21-5-3-2-4-6-21/h2-12,17-18,30H,13-16H2,1H3/t18-,26-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50306416
PNG
(CHEMBL596620 | N-(adamantan-2-yl)-1,3-dihydrospiro...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(13.65,-21.08,;13.69,-19.54,;12.38,-18.73,;11.02,-19.47,;11.01,-21,;9.61,-21.35,;8.29,-20.85,;7.09,-22.13,;8.59,-21.71,;10,-22.28,;8.58,-20.12,;9.62,-18.89,;8.27,-19.37,;15.05,-18.8,;15.08,-17.27,;16.44,-16.53,;17.76,-17.35,;17.7,-18.89,;17.49,-20.42,;18.87,-21.09,;19.3,-22.57,;20.79,-22.94,;21.86,-21.82,;21.43,-20.35,;19.94,-19.98,;19.22,-18.63,;16.35,-19.62,)|
Show InChI InChI=1S/C24H32N2O/c27-23(25-22-20-9-16-8-17(11-20)12-21(22)10-16)26-7-3-6-24(15-26)13-18-4-1-2-5-19(18)14-24/h1-2,4-5,16-17,20-22H,3,6-15H2,(H,25,27)
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n/an/a 0.700n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
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))		BDBM50353405
PNG
(CHEMBL1829759 | US8575157, 196 | US8592410, 93 | U...)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-8-10-21(11-9-20)24-13-12-23(28)18-25(24)29)30-16-15-27(14-5-17-31,33-26(30)32)22-6-3-2-4-7-22/h2-4,6-13,18-19,31H,5,14-17H2,1H3/t19-,27+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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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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))		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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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))		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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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))		BDBM50329314
PNG
((S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-11.32,-46.08,;-9.96,-45.31,;-9.95,-43.77,;-8.62,-46.08,;-9.81,-47.36,;-8.31,-46.94,;-6.91,-47.5,;-5.89,-46.23,;-7.29,-46.57,;-5.88,-44.7,;-4.54,-43.94,;-3.22,-44.72,;-3.23,-46.26,;-1.87,-43.97,;-1.85,-42.42,;-.37,-41.97,;.51,-43.23,;-.42,-44.46,;2.05,-43.25,;2.84,-41.93,;4.38,-41.96,;5.17,-40.64,;4.42,-39.3,;2.88,-39.28,;2.09,-40.6,;5.21,-37.98,;6.75,-38,;4.46,-36.63,;5.97,-36.63,;-7.28,-44.12,;-8.32,-45.36,;-8.62,-44.6,)|
Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)15-1-2-17(27-10-15)28-16-3-4-29(11-16)20(31)32-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)30/h1-2,10,12-14,16,18H,3-9,11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,16-,18-,21-/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
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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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))		BDBM50306417
PNG
(CHEMBL596621 | N-(adamantan-2-yl)-2,3-dihydrospiro...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(32.76,-22.58,;32.8,-21.03,;31.48,-20.22,;30.13,-20.96,;30.12,-22.49,;28.72,-22.84,;27.39,-22.35,;26.19,-23.63,;27.69,-23.21,;29.1,-23.77,;27.68,-21.61,;28.73,-20.38,;27.37,-20.86,;34.16,-20.29,;35.47,-21.11,;36.82,-20.38,;36.88,-18.83,;37.14,-17.31,;38.67,-17.1,;39.35,-18.48,;40.82,-18.9,;41.19,-20.38,;40.09,-21.45,;38.62,-21.03,;38.24,-19.55,;35.56,-18.02,;34.19,-18.75,)|
Show InChI InChI=1S/C24H32N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-4,16-17,19-20,22H,5-15H2,(H,25,27)
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50306414
PNG
(3-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(C1)c1ccccc1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12|
Show InChI InChI=1S/C22H30N2O/c25-22(23-21-19-10-15-9-16(12-19)13-20(21)11-15)24-8-4-7-18(14-24)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-21H,4,7-14H2,(H,23,25)
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353407
PNG
(CHEMBL1829760)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H26FNO3/c1-19(20-7-9-21(10-8-20)22-11-13-24(27)14-12-22)28-17-15-26(16-18-29,31-25(28)30)23-5-3-2-4-6-23/h2-14,19,29H,15-18H2,1H3/t19-,26-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353397
PNG
(CHEMBL1829772)
Show SMILES C[C@H](N1CC[C@@](CCNC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C27H26F3N3O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)33-15-13-27(36-26(33)35,12-14-32-25(31)34)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H3,31,32,34)/t17-,27+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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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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))		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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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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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 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))		BDBM50329311
PNG
((R)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.14,-33.31,;-8.79,-32.53,;-8.79,-30.99,;-7.45,-33.31,;-8.65,-34.59,;-7.15,-34.17,;-5.74,-34.73,;-4.73,-33.46,;-6.12,-33.8,;-4.72,-31.93,;-3.37,-31.17,;-2.05,-31.95,;-2.06,-33.49,;-.71,-31.19,;-.68,-29.65,;.79,-29.2,;1.68,-30.46,;.75,-31.69,;3.22,-30.48,;4.01,-29.16,;5.55,-29.19,;6.34,-27.87,;5.59,-26.53,;4.04,-26.51,;3.26,-27.83,;6.38,-25.2,;7.92,-25.23,;5.63,-23.86,;7.14,-23.86,;-6.11,-31.35,;-7.15,-32.58,;-7.46,-31.83,)|
Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)15-1-2-17(27-10-15)28-16-3-4-29(11-16)20(31)32-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)30/h1-2,10,12-14,16,18H,3-9,11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,16-,18-,21-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50329315
PNG
((R)-3-(3-Cyano-pyridin-2-ylamino)-pyrrolidine-1-ca...)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(3.85,-46.65,;5.2,-45.88,;5.2,-44.34,;6.53,-46.66,;5.34,-47.93,;6.84,-47.51,;8.24,-48.08,;9.26,-46.8,;7.86,-47.15,;9.27,-45.27,;10.61,-44.52,;11.94,-45.3,;11.92,-46.84,;13.28,-44.54,;13.3,-43,;14.78,-42.54,;15.66,-43.8,;14.74,-45.03,;17.2,-43.83,;17.99,-42.51,;17.24,-41.17,;18.03,-39.85,;19.58,-39.87,;20.32,-41.22,;19.53,-42.54,;20.28,-43.88,;21.03,-45.23,;7.87,-44.69,;6.83,-45.93,;6.53,-45.17,)|
Show InChI InChI=1S/C22H27N5O3/c23-11-14-2-1-4-25-19(14)26-17-3-5-27(12-17)21(29)30-18-15-6-13-7-16(18)10-22(8-13,9-15)20(24)28/h1-2,4,13,15-18H,3,5-10,12H2,(H2,24,28)(H,25,26)/t13?,15?,16?,17-,18-,22-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader

Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50306411
PNG
(3-Benzyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(31.28,3,;31.32,4.54,;30,5.35,;28.65,4.61,;28.64,3.08,;27.24,2.74,;25.92,3.23,;24.73,1.95,;26.22,2.37,;27.63,1.81,;26.22,3.96,;27.26,5.19,;25.91,4.71,;32.67,5.28,;32.7,6.81,;34.06,7.55,;35.37,6.73,;35.32,5.19,;36.63,4.38,;36.59,2.84,;35.23,2.12,;35.18,.58,;36.49,-.23,;37.85,.51,;37.89,2.04,;33.98,4.47,)|
Show InChI InChI=1S/C23H32N2O/c26-23(24-22-20-11-18-10-19(13-20)14-21(22)12-18)25-8-4-7-17(15-25)9-16-5-2-1-3-6-16/h1-3,5-6,17-22H,4,7-15H2,(H,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353396
PNG
(CHEMBL1829766)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1cccc(F)c1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-6-8-21(9-7-20)22-10-12-24(28)13-11-22)30-16-15-27(14-3-17-31,33-26(30)32)23-4-2-5-25(29)18-23/h2,4-13,18-19,31H,3,14-17H2,1H3/t19-,27+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50306415
PNG
(4-Phenyl-piperidine-1-carboxylic acid adamantan-2-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(CC1)c1ccccc1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12|
Show InChI InChI=1S/C22H30N2O/c25-22(23-21-19-11-15-10-16(13-19)14-20(21)12-15)24-8-6-18(7-9-24)17-4-2-1-3-5-17/h1-5,15-16,18-21H,6-14H2,(H,23,25)
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50306433
PNG
(CHEMBL601211 | N-(adamantan-2-yl)-7-bromo-3-(carba...)
Show SMILES NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
Show InChI InChI=1S/C26H34BrN3O2/c27-21-3-1-2-20-19(13-22(28)31)14-26(23(20)21)4-6-30(7-5-26)25(32)29-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H2,28,31)(H,29,32)
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA

Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353406
PNG
(CHEMBL1829758)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C26H25F2NO3/c1-18(19-7-9-20(10-8-19)23-12-11-22(27)17-24(23)28)29-15-13-26(14-16-30,32-25(29)31)21-5-3-2-4-6-21/h2-12,17-18,30H,13-16H2,1H3/t18-,26-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50353393
PNG
(CHEMBL1829765)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-7-9-21(10-8-20)22-11-13-23(28)14-12-22)30-17-16-27(15-4-18-31,33-26(30)32)24-5-2-3-6-25(24)29/h2-3,5-14,19,31H,4,15-18H2,1H3/t19-,27+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...

J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
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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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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