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Compile Data Set for Download or QSAR

Found 5670 hits Enz. Inhib. hit(s) with Target = '11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)'   
Target
(Institution)
LigandTarget
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))
BDBM250432
PNG
(US9464044, 22)
Show SMILES CN(CC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F
Show InChI InChI=1/C23H30FN3O4S/c1-27(32(30,31)18-5-3-2-4-17(18)24)13-22(6-7-22)21(29)26-19-15-8-14-9-16(19)12-23(10-14,11-15)20(25)28/h2-5,14-16,19H,6-13H2,1H3,(H2,25,28)(H,26,29)/t14?,15?,16?,19-,23?
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n/an/a 0.0200n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317213
PNG
((2R)-N-(adamantan-2-yl)-1-(cyclopentylmethyl)pyrro...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1
Show InChI InChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317214
PNG
((2R)-N-(adamantan-2-yl)-1-(2-methylpropyl)pyrrolid...)
Show SMILES CC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C19H32N2O/c1-12(2)11-21-5-3-4-17(21)19(22)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h12-18H,3-11H2,1-2H3,(H,20,22)/t13?,14?,15?,16?,17-,18?/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317226
PNG
((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclohexyl)me...)
Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1
Show InChI InChI=1S/C22H36N2O2/c25-21(23-20-17-10-15-9-16(12-17)13-18(20)11-15)19-5-4-8-24(19)14-22(26)6-2-1-3-7-22/h15-20,26H,1-14H2,(H,23,25)/t15?,16?,17?,18?,19-,20?/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317220
PNG
((2R)-N-(adamantan-2-yl)-1-[(4-cyanophenyl)methyl]p...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C23H29N3O/c24-13-15-3-5-16(6-4-15)14-26-7-1-2-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h3-6,17-22H,1-2,7-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317215
PNG
((2R)-N-(adamantan-2-yl)-1-(cyclobutylmethyl)pyrrol...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1
Show InChI InChI=1S/C20H32N2O/c23-20(18-5-2-6-22(18)12-13-3-1-4-13)21-19-16-8-14-7-15(10-16)11-17(19)9-14/h13-19H,1-12H2,(H,21,23)/t14?,15?,16?,17?,18-,19?/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112149
PNG
(CHEMBL3609877)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C21H27ClFN3O4S/c1-20(2,26-31(29,30)16-4-3-14(23)7-15(16)22)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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n/an/a 0.100n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)

More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32522
PNG
(pyridine amide, 30)
Show SMILES Cc1ccc(cc1F)-c1cccc(n1)C(=O)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
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n/an/a 0.100n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167443
PNG
(US9073906, 128)
Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31)
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n/an/a 0.100n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50392924
PNG
(CHEMBL2152223)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250460
PNG
(US9464044, 62)
Show SMILES CN(C1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1/C22H28ClN3O4S/c1-26(31(29,30)17-4-2-3-16(23)9-17)22(5-6-22)20(28)25-18-14-7-13-8-15(18)12-21(10-13,11-14)19(24)27/h2-4,9,13-15,18H,5-8,10-12H2,1H3,(H2,24,27)(H,25,28)/t13?,14?,15?,18-,21?
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n/an/a 0.120n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112154
PNG
(CHEMBL3608403)
Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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n/an/a 0.200n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


J Med Chem 51: 3953-60 (2008)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167438
PNG
(US9073906, 88)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)
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n/an/a 0.200n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


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



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50260704
PNG
(3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C19H17Cl2N3/c1-24-17(15-5-2-3-6-16(15)21)22-23-18(24)19(11-4-12-19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112151
PNG
(CHEMBL3608400)
Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-7-14(22)3-4-15(16)23)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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n/an/a 0.300n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM142001
PNG
(US8927536, 26)
Show SMILES CC1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1/C22H23FN4OS/c1-21(14-28)12-19-25-26-20(27(19)9-10-29-21)22(6-7-22)16-4-5-17(18(23)11-16)15-3-2-8-24-13-15/h2-5,8,11,13,28H,6-7,9-10,12,14H2,1H3
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 ÁL, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250418
PNG
(US9464044, 8)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4cccc(Cl)c4F)CC1)C(C3)C2
Show InChI InChI=1/C22H27ClFN3O4S/c23-15-2-1-3-16(17(15)24)32(30,31)26-11-21(4-5-21)20(29)27-18-13-6-12-7-14(18)10-22(8-12,9-13)19(25)28/h1-3,12-14,18,26H,4-11H2,(H2,25,28)(H,27,29)/t12?,13?,14?,18-,22?
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM107578
PNG
(US8575157, 2)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C27H30N2O4/c1-19(20-9-11-21(12-10-20)22-13-15-28-24(30)17-22)29-16-14-27(33-25(29)31,18-26(2,3)32)23-7-5-4-6-8-23/h4-13,15,17,19,32H,14,16,18H2,1-3H3,(H,28,30)/t19-,27-/m0/s1
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US Patent
n/an/a 0.310n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8575157 (2013)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317216
PNG
((2R)-N-(adamantan-2-yl)-1-(cyclohexylmethyl)pyrrol...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1
Show InChI InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317221
PNG
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317219
PNG
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)
Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1
Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317218
PNG
((2R)-N-(adamantan-2-yl)-1-(3,3,3-trifluoropropyl)p...)
Show SMILES FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H27F3N2O/c19-18(20,21)3-5-23-4-1-2-15(23)17(24)22-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H,22,24)/t11?,12?,13?,14?,15-,16?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317217
PNG
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)
Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50313286
PNG
((1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1
Show InChI InChI=1S/C17H26N2O2S/c1-17(2,3)10-13-5-7-16(8-6-13)22(20,21)19-12-14-9-15(19)11-18(14)4/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50317225
PNG
((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclopentyl)m...)
Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
Show InChI InChI=1S/C21H34N2O2/c24-20(18-4-3-7-23(18)13-21(25)5-1-2-6-21)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h14-19,25H,1-13H2,(H,22,24)/t14?,15?,16?,17?,18-,19?/m1/s1
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50260624
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18ClN3O/c1-23-17(13-3-9-16(24)10-4-13)21-22-18(23)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10,24H,2,11-12H2,1H3
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n/an/a 0.340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112152
PNG
(CHEMBL3608401 | US9464044, 84)
Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21?
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US Patent
n/an/a 0.360n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)

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
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112152
PNG
(CHEMBL3608401 | US9464044, 84)
Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21?
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n/an/a 0.400n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250453
PNG
(US9464044, 50)
Show SMILES Cn1ccc2cccc(c12)S(=O)(=O)NC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1/C24H30N4O4S/c1-28-8-5-15-3-2-4-18(20(15)28)33(31,32)27-24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19,27H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)/t14?,16?,17?,19-,23?
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n/an/a 0.400n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50392919
PNG
(CHEMBL2152217)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C
Show InChI InChI=1S/C23H33ClN2O3S/c1-15-18(24)8-5-9-19(15)30(28,29)26-12-6-7-16(14-26)21(27)25-20-13-17-10-11-23(20,4)22(17,2)3/h5,8-9,16-17,20H,6-7,10-14H2,1-4H3,(H,25,27)/t16-,17+,20-,23-/m0/s1
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TBA

Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


Citation and Details
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
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50448706
PNG
(CHEMBL3127854)
Show SMILES COc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C19H26N2O4S/c1-24-18-21-15(13-3-2-4-25-13)16(26-18)17(22)20-14-11-5-10-6-12(14)9-19(23,7-10)8-11/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,11?,12?,13-,14-,19-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50017008
PNG
(CHEMBL3287025)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Show InChI InChI=1S/C23H33ClN2O3S/c1-15-18(24)8-5-9-19(15)30(28,29)26-12-6-7-16(14-26)21(27)25-20-13-17-10-11-23(20,4)22(17,2)3/h5,8-9,16-17,20H,6-7,10-14H2,1-4H3,(H,25,27)/t16-,17-,20-,23+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


J Med Chem 57: 4466-86 (2014)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167440
PNG
(US9073906, 122)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50248471
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-7-11-27-12-8-19)13-14-29(17)33(31,32)20-5-3-18(4-6-20)21(2,30)23(24,25)26/h3-8,11-12,17,30H,9-10,13-16H2,1-2H3/t17-,21?/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50448693
PNG
(CHEMBL3127857)
Show SMILES OC12CC3CC(C1)C(NC(=O)c1sc(OC4CC(C4)C#N)nc1[C@H]1CCCO1)C(C3)C2
Show InChI InChI=1S/C23H29N3O4S/c24-11-13-6-16(7-13)30-22-26-19(17-2-1-3-29-17)20(31-22)21(27)25-18-14-4-12-5-15(18)10-23(28,8-12)9-14/h12-18,28H,1-10H2,(H,25,27)/t12?,13?,14?,15?,16?,17-,18?,23?/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50448731
PNG
(CHEMBL3127868)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2
Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-
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n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50448704
PNG
(CHEMBL3127856)
Show SMILES COC[C@H](C)Oc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1S/C22H32N2O5S/c1-12(11-27-2)29-21-24-18(16-4-3-5-28-16)19(30-21)20(25)23-17-14-6-13-7-15(17)10-22(26,8-13)9-14/h12-17,26H,3-11H2,1-2H3,(H,23,25)/t12-,13?,14?,15?,16+,17?,22?/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM186151
PNG
(US9163012, 68)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2
Show InChI InChI=1/C23H27ClN4O4/c24-16-2-1-3-17-18(16)28(21(30)26-17)15-4-5-27(11-15)22(31)32-19-13-6-12-7-14(19)10-23(8-12,9-13)20(25)29/h1-3,12-15,19H,4-11H2,(H2,25,29)(H,26,30)/t12?,13?,14?,15-,19-,23-/s2
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US Patent
n/an/a 0.460n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM186136
PNG
(US9163012, 53)
Show SMILES Cn1ccc(cc1=O)-c1csc(n1)[C@H]1CCCN1C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C24H29N3O3S/c1-26-6-4-16(12-21(26)28)19-13-31-23(25-19)20-3-2-5-27(20)24(29)30-22-17-8-14-7-15(10-17)11-18(22)9-14/h4,6,12-15,17-18,20,22H,2-3,5,7-11H2,1H3/t14?,15?,17?,18?,20-,22?/s2
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US Patent
n/an/a 0.470n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50448705
PNG
(CHEMBL3127855)
Show SMILES COCCOc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1S/C21H30N2O5S/c1-26-5-6-28-20-23-17(15-3-2-4-27-15)18(29-20)19(24)22-16-13-7-12-8-14(16)11-21(25,9-12)10-13/h12-16,25H,2-11H2,1H3,(H,22,24)/t12?,13?,14?,15-,16?,21?/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis


J Med Chem 57: 970-86 (2014)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM107475
PNG
(US8592410, 15)
Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C29H35N3O4/c1-20(2)32-26(33)16-15-25(30-32)23-13-11-22(12-14-23)21(3)31-18-17-29(36-27(31)34,19-28(4,5)35)24-9-7-6-8-10-24/h6-16,20-21,35H,17-19H2,1-5H3/t21-,29-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8592410 (2013)

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
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)

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
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50054701
PNG
(CHEMBL3318967)
Show SMILES FC(F)(F)Oc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClF3N3O2/c23-15-9-7-14(8-10-15)21(11-12-21)20-28-27-19-18(6-3-13-29(19)20)30-16-4-1-2-5-17(16)31-22(24,25)26/h1-10,13H,11-12H2
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay


ACS Med Chem Lett 5: 803-8 (2014)

More data for this
Ligand-Target Pair
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