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Compile Data Set for Download or QSAR

Found 894 hits of ic50 data for polymerid = 1407,1409   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50359991
PNG
(CHEMBL1927953)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O)C(O)=O |r,t:18|
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-27(48)28(26(47)30(58-35)33(51)52)56-34-25(46)23(44)24(45)29(57-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25+,26-,27+,28-,29-,30-,31+,34+,35+,38+,39-,40-,41+,42+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay


J Nat Prod 75: 599-604 (2012)


Article DOI: 10.1021/np200831c
BindingDB Entry DOI: 10.7270/Q27M090Q
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50359991
PNG
(CHEMBL1927953)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O)C(O)=O |r,t:18|
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-27(48)28(26(47)30(58-35)33(51)52)56-34-25(46)23(44)24(45)29(57-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25+,26-,27+,28-,29-,30-,31+,34+,35+,38+,39-,40-,41+,42+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Kunming Institute of Botany

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in human HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity as...


J Nat Prod 74: 2571-5 (2011)


Article DOI: 10.1021/np200755t
BindingDB Entry DOI: 10.7270/Q2P26ZJJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50185127
PNG
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18|
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...


Bioorg Med Chem Lett 19: 4455-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.033
BindingDB Entry DOI: 10.7270/Q2VT1T1D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


Eur J Med Chem 65: 403-14 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650204, China.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 2 hr by scintillation prox...


Eur J Med Chem 135: 324-338 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.059
BindingDB Entry DOI: 10.7270/Q2CF9SK2
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50329192
PNG
((3beta,18beta,20beta)-3-Acetoxy-N-methyl-N-hydroxy...)
Show SMILES CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C33H51NO5/c1-20(35)39-25-11-12-31(6)24(28(25,2)3)10-13-33(8)26(31)23(36)18-21-22-19-30(5,27(37)34(9)38)15-14-29(22,4)16-17-32(21,33)7/h18,22,24-26,38H,10-17,19H2,1-9H3/t22-,24-,25-,26+,29+,30-,31-,32+,33+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50329192
PNG
((3beta,18beta,20beta)-3-Acetoxy-N-methyl-N-hydroxy...)
Show SMILES CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C33H51NO5/c1-20(35)39-25-11-12-31(6)24(28(25,2)3)10-13-33(8)26(31)23(36)18-21-22-19-30(5,27(37)34(9)38)15-14-29(22,4)16-17-32(21,33)7/h18,22,24-26,38H,10-17,19H2,1-9H3/t22-,24-,25-,26+,29+,30-,31-,32+,33+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c...


Bioorg Med Chem 18: 7522-41 (2010)


Article DOI: 10.1016/j.bmc.2010.08.046
BindingDB Entry DOI: 10.7270/Q2PR7W7Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50174298
PNG
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD2 assessed as inhibition of conversion of radiolabeled cortisone to radiolabeled cortisol by cell-based assa...


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50329187
PNG
((3alpha,18beta,20beta)-3-Methoxyamino-11-oxo-olean...)
Show SMILES CON[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:17|
Show InChI InChI=1S/C31H49NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,32H,9-16,18H2,1-8H3,(H,34,35)/t20-,22-,23+,24+,27+,28-,29-,30+,31+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c...


Bioorg Med Chem 18: 7522-41 (2010)


Article DOI: 10.1016/j.bmc.2010.08.046
BindingDB Entry DOI: 10.7270/Q2PR7W7Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50340378
PNG
(3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...)
Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3
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n/an/a 7.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD2 assessed as inhibition of conversion of radiolabeled cortisone to radiolabeled cortisol by cell-based assa...


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
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n/an/a>10n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642875
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-2,4a,6a...)
Show SMILES CSCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C |t:20|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50112133
PNG
(CHEMBL3609861 | US9464044, 71)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:16:17:21:23.25.24,26:24:21:19.18.17,THB:27:24:21:19.18.17,27:24:21.20.19:17,25:20:17:23.24.26,25:24:21.20.19:17,26:18:21:23.25.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-8.49,-3.15,;-7.53,-2.38,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.17,;3.58,2.29,;3.79,.17,)|
Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21?
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n/an/a>10n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


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


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50340431
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3,4-dihydroqu...)
Show SMILES O=C(N1CCC(CC1)c1cnc[nH]1)N1CCCc2ccccc12
Show InChI InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
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n/an/a>10n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50306423
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dih...)
Show SMILES Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(4.76,-16.1,;3.34,-15.51,;2.12,-16.43,;.71,-15.83,;.52,-14.32,;1.75,-13.4,;3.15,-13.99,;1.25,-11.94,;2.02,-10.61,;3.56,-10.61,;4.34,-11.94,;4.34,-9.27,;-.29,-11.97,;-.74,-13.44,;-.8,-14.98,;-2.15,-15.71,;-3.46,-14.9,;-3.43,-13.36,;-2.06,-12.63,;-4.81,-15.64,;-4.85,-17.18,;-6.13,-14.83,;-7.48,-15.56,;-7.49,-17.1,;-8.89,-17.44,;-10.22,-16.95,;-11.42,-18.23,;-9.92,-17.81,;-8.51,-18.38,;-9.92,-16.21,;-8.88,-14.98,;-10.23,-15.46,)|
Show InChI InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


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 type 2


(Homo sapiens (Human))
BDBM50339805
PNG
((3beta,18beta,20beta)-[3-(1,2,4-Oxadiazole-5(2H)-o...)
Show SMILES C[C@]12CC[C@@](C)(C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](Oc5nc(=O)o[nH]5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:9|
Show InChI InChI=1S/C32H46N2O6/c1-27(2)21-8-11-32(7)23(30(21,5)10-9-22(27)39-25-33-26(38)40-34-25)20(35)16-18-19-17-29(4,24(36)37)13-12-28(19,3)14-15-31(18,32)6/h16,19,21-23H,8-15,17H2,1-7H3,(H,36,37)(H,33,34,38)/t19-,21-,22-,23+,28+,29-,30-,31+,32+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50339809
PNG
((5aR,7aR,7bS,9aS,12S,13aR,15aR,15bS)-2,3,4,5,5a,6,...)
Show SMILES CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C31H48N2O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(35)32-26)21(34)17-19-20-18-28(4,25(36)33(8)37)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24,37H,9-16,18H2,1-8H3,(H,32,35)/t20-,22-,24+,27+,28-,29-,30+,31+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642880
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-(Ben...)
Show SMILES Cc1oc(=O)oc1COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)c1ccccc1 |t:29|
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n/an/a 12.6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50329188
PNG
((3beta,18beta,20beta)-3-Methoxyamino-11-oxo-olean-...)
Show SMILES CON[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:17|
Show InChI InChI=1S/C31H49NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,32H,9-16,18H2,1-8H3,(H,34,35)/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
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n/an/a 14.5n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c...


Bioorg Med Chem 18: 7522-41 (2010)


Article DOI: 10.1016/j.bmc.2010.08.046
BindingDB Entry DOI: 10.7270/Q2PR7W7Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50339811
PNG
((3beta,18beta,20beta)-N-Hydroxy-N-methyl-[3-(1,2,4...)
Show SMILES CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C33H49N3O6/c1-28(2)22-9-12-33(7)24(31(22,5)11-10-23(28)41-26-34-27(39)42-35-26)21(37)17-19-20-18-30(4,25(38)36(8)40)14-13-29(20,3)15-16-32(19,33)6/h17,20,22-24,40H,9-16,18H2,1-8H3,(H,34,35,39)/t20-,22-,23-,24+,29+,30-,31-,32+,33+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50339812
PNG
(CHEMBL1689283 | N-[(3beta,18beta,20beta)-3-Hydroxy...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)NC(N)=O |r,t:19|
Show InChI InChI=1S/C30H48N2O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)34)20(33)16-18-19-17-27(4,32-24(31)35)14-12-26(19,3)13-15-29(18,30)6/h16,19,21-23,34H,8-15,17H2,1-7H3,(H3,31,32,35)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50193790
PNG
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642882
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-((Cy...)
Show SMILES Cc1oc(=O)oc1COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)C1CC1 |t:29|
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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50435691
PNG
(CHEMBL2391968)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD2 assessed as inhibition of conversion of radiolabeled cortisone to radiolabeled cortisol by cell-based assa...


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50340386
PNG
(3-(4-(ethylsulfonylmethyl)bicyclo[2.2.2]octan-1-yl...)
Show SMILES CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H26F3N3O2S/c1-3-30(28,29)14-19-8-11-20(12-9-19,13-10-19)18-26-25-17(27(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7H,3,8-14H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD2 assessed as inhibition of conversion of radiolabeled cortisone to radiolabeled cortisol by cell-based assa...


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642894
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-Acet...)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C |t:18|
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n/an/a 31.6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642889
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-acet...)
Show SMILES CCc1oc(=O)oc1COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |t:30|
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n/an/a 31.6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50339808
PNG
(CHEMBL1689279 | N-[(5aR,7aR,7bS,9aS,12S,13aR,15aR,...)
Show SMILES C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)NC(N)=O |r,c:10|
Show InChI InChI=1S/C30H47N3O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(35)32-25)20(34)16-18-19-17-27(4,33-24(31)36)14-12-26(19,3)13-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,32,35)(H3,31,33,36)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50339813
PNG
(CHEMBL1689284 | N-[(3beta,18beta,20beta)-3,11-Diox...)
Show SMILES C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)NC(N)=O |r,c:10|
Show InChI InChI=1S/C30H46N2O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)34)20(33)16-18-19-17-27(4,32-24(31)35)14-12-26(19,3)13-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H3,31,32,35)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50188387
PNG
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...)
Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19|
Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells


J Med Chem 49: 3454-66 (2006)


Article DOI: 10.1021/jm0600794
BindingDB Entry DOI: 10.7270/Q2PN958F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50329193
PNG
((3beta,18beta,20beta)-3-Acetoxy-N-hydroxy-11-oxo-o...)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)NO)C1(C)C |r,t:18|
Show InChI InChI=1S/C32H49NO5/c1-19(34)38-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(35)17-20-21-18-29(5,26(36)33-37)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25,37H,9-16,18H2,1-8H3,(H,33,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
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n/an/a 61.1n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c...


Bioorg Med Chem 18: 7522-41 (2010)


Article DOI: 10.1016/j.bmc.2010.08.046
BindingDB Entry DOI: 10.7270/Q2PR7W7Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642901
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-[(2-...)
Show SMILES COCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C |t:20|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642893
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-acet...)
Show SMILES CC(C)c1oc(=O)oc1COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |t:31|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642892
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-(ace...)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)[C@]1(C)C(=O)OCc1oc(=O)oc1-c1ccccc1 |t:18|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Mus musculus (mouse))
BDBM50247012
PNG
(3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |r,t:18|
Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...


Bioorg Med Chem Lett 19: 4455-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.033
BindingDB Entry DOI: 10.7270/Q2VT1T1D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50277179
PNG
(CHEMBL4160328)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2C=C1 |c:20,THB:9:10:17.18:15.14,12:11:17.18:15.14|
Show InChI InChI=1S/C17H25NO/c19-17(14-4-2-1-3-5-14)18-10-15-12-6-7-13(9-8-12)16(15)11-18/h6-7,12-16H,1-5,8-11H2
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n/an/a 100n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50277198
PNG
(CHEMBL4163698)
Show SMILES O=C(C1CCCCC1)N1CC2C3CC(C=C3)C2C1 |c:15,THB:9:10:15.14:12,17:16:15.14:12|
Show InChI InChI=1S/C16H23NO/c18-16(11-4-2-1-3-5-11)17-9-14-12-6-7-13(8-12)15(14)10-17/h6-7,11-15H,1-5,8-10H2
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n/an/a<100n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50277202
PNG
(CHEMBL4174368)
Show SMILES O=C(C1CCCCC1)N1CC2C3CCC(C3)C2C1 |TLB:9:10:12.13:15,17:16:12.13:15|
Show InChI InChI=1S/C16H25NO/c18-16(11-4-2-1-3-5-11)17-9-14-12-6-7-13(8-12)15(14)10-17/h11-15H,1-10H2
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n/an/a<100n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50277203
PNG
(CHEMBL4170932)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2CC1 |TLB:9:10:15.14:17.18,12:11:15.14:17.18,(11.97,-36.21,;11.94,-34.68,;13.26,-33.89,;14.6,-34.64,;15.91,-33.86,;15.9,-32.32,;14.55,-31.57,;13.23,-32.36,;10.6,-33.93,;9.04,-33.74,;8.64,-32.35,;9.4,-30.93,;9.64,-32.74,;7.7,-30.37,;6.13,-31.11,;5.44,-32.57,;7.11,-31.74,;6.73,-30.35,;7.25,-28.69,)|
Show InChI InChI=1S/C17H27NO/c19-17(14-4-2-1-3-5-14)18-10-15-12-6-7-13(9-8-12)16(15)11-18/h12-16H,1-11H2
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n/an/a 100n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50277178
PNG
(CHEMBL4162610)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2C2CC12 |TLB:9:10:15.14:17.19,12:11:15.14:17.19,THB:18:17:15.14:10.11,18:19:15.14:10.11|
Show InChI InChI=1S/C18H27NO/c20-18(11-4-2-1-3-5-11)19-9-16-12-6-7-13(17(16)10-19)15-8-14(12)15/h11-17H,1-10H2
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n/an/a<100n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642877
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-2,4a,6a...)
Show SMILES CSCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C(C)C |t:20|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50339806
PNG
((3beta,18beta,20beta)-N-[-3-(Acetoxy)-11-oxo-30-no...)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)NC(N)=O)C1(C)C |r,t:18|
Show InChI InChI=1S/C32H50N2O4/c1-19(35)38-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(36)17-20-21-18-29(5,34-26(33)37)15-13-28(21,4)14-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H3,33,34,37)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
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n/an/a 104n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50329195
PNG
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-N,10-dihyd...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)NO |r,t:19|
Show InChI InChI=1S/C30H47NO4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(34)31-35)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33,35H,8-15,17H2,1-7H3,(H,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 122n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c...


Bioorg Med Chem 18: 7522-41 (2010)


Article DOI: 10.1016/j.bmc.2010.08.046
BindingDB Entry DOI: 10.7270/Q2PR7W7Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642909
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-2,4a,6a...)
Show SMILES Cc1oc(=O)oc1COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)NCCN1CCOCC1 |t:29|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642915
PNG
(2-(3-((1-PEG-1H-1,2,3-triazol-4-yl)methoxy)-4-nitr...)
Show SMILES COCCOCCOCCOCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)OCc2ccc(c(OCc3cn(OCCOCCOCCOC)nn3)c2)[N+]([O-])=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C |r,t:30|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642913
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-[4-(...)
Show SMILES CCOC(=O)c1cnn([C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C(=O)C=C3[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(O)=O)[C@]2(C)C(=O)OCc2oc(=O)oc2C)c1OC |t:23|
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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Mus musculus (mouse))
BDBM13757
PNG
((1R,3R,4S,7S)-4-[2-(2-chlorophenoxy)-2-methylpropa...)
Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-6-4-3-5-15(16)22)18(24)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The in Vitro 11beta-HSD2 dehydrogenase assays were developed using the cell lysates that had the full length human or mouse 11beta-HSD2 cDNA over exp...


Bioorg Med Chem Lett 17: 750-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.074
BindingDB Entry DOI: 10.7270/Q2W66J13
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM642898
PNG
((2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-(2-H...)
Show SMILES Cc1oc(=O)oc1COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CO |t:29|
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Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50247012
PNG
(3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |r,t:18|
Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2 (unknown origin) expressed in HEK293 cells using cortisone as substrate measured after 2 hrs in presence of NAD+ by HTRF as...


J Med Chem 62: 6925-6940 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00187
BindingDB Entry DOI: 10.7270/Q23R0X43
More data for this
Ligand-Target Pair
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