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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'odermatt' and Initial = 'a'   
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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50179201
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O
Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol


J Med Chem 51: 4188-99 (2008)


Article DOI: 10.1021/jm800054h
BindingDB Entry DOI: 10.7270/Q2Q81F0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 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
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 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
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 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
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 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
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 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
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 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
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 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
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 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
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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50237104
PNG
(2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl...)
Show SMILES CCc1cc2[C@H]3CC[C@@]4(C)[C@@H](C[C@H](CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O
Show InChI InChI=1S/C28H34N2O3/c1-3-18-11-23-19(13-25(18)31)6-7-22-21(23)8-9-28(2)24(22)12-20(27(28)33)14-26(32)30-16-17-5-4-10-29-15-17/h4-5,10-11,13,15,20-22,24,31H,3,6-9,12,14,16H2,1-2H3,(H,30,32)/t20-,21+,22-,24+,28+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol


J Med Chem 51: 4188-99 (2008)


Article DOI: 10.1021/jm800054h
BindingDB Entry DOI: 10.7270/Q2Q81F0N
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 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
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50267362
PNG
((2'S,8R,9S,13S,14S)-3-hydroxy-13-methyl-4',5',6,7,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCCC(=O)O1
Show InChI InChI=1S/C22H28O3/c1-21-11-8-17-16-7-5-15(23)13-14(16)4-6-18(17)19(21)9-12-22(21)10-2-3-20(24)25-22/h5,7,13,17-19,23H,2-4,6,8-12H2,1H3/t17-,18-,19+,21+,22+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(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
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 42.7n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-3H]-cortisone to cortisol by scintillation count...


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 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
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50358116
PNG
(CHEMBL1915968)
Show SMILES CN1[C@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O2S/c1-23-19(24)12-16(14-6-3-2-4-7-14)20(23)21(25)18-10-9-17(26-18)15-8-5-11-22-13-15/h2-11,13,16,20-21,25H,12H2,1H3/t16-,20-,21+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50179201
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O
Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol


J Med Chem 51: 4188-99 (2008)


Article DOI: 10.1021/jm800054h
BindingDB Entry DOI: 10.7270/Q2Q81F0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 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
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50358118
PNG
(CHEMBL1915964)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(12-13-5-3-6-14(23)11-13)20(24)18-10-9-17(26-18)15-7-4-8-16(25-2)19(15)21/h3-11,23H,12H2,1-2H3
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 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
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 1


(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
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 61.9n/an/an/an/an/an/a



University of Natural Resources and Applied Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-3H]-cortisone to cortisol by scintillation count...


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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426587
PNG
(CHEMBL2324361)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)c2cccc(C)c2)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-7-14(12-13)22(2)20(23)18-11-10-17(25-18)15-8-5-9-16(24-3)19(15)21/h4-12H,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 73n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
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
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 90n/an/an/an/an/an/a



Vienna University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in rat liver assessed as cortisone level


Bioorg Med Chem 18: 433-54 (2010)


Article DOI: 10.1016/j.bmc.2009.10.036
BindingDB Entry DOI: 10.7270/Q2BP02W3
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
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
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 90n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat hepatic 11beta-HSD1


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 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
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a 105n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 119n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 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
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426586
PNG
(CHEMBL2324365)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-9-16(19(13)21)17-10-11-18(25-17)20(23)22(2)14-7-5-8-15(12-14)24-3/h4-12H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426588
PNG
(CHEMBL2324673)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H21NO2S/c1-26(21-12-6-10-19(16-21)18-8-4-3-5-9-18)25(27)24-15-14-23(29-24)20-11-7-13-22(17-20)28-2/h3-17H,1-2H3
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n/an/a 137n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(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
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 140n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-[3H]cortisone to cortisol after 10 mins by scint...


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 1


(Homo sapiens (Human))
BDBM50188390
PNG
(4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...)
Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O
Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1
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n/an/a 144n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in 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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426582
PNG
(CHEMBL2324678)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-5-4-6-17(13-15)24-3)20(22)19-12-11-18(25-19)14-7-9-16(23-2)10-8-14/h4-13H,1-3H3
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n/an/a 148n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426593
PNG
(CHEMBL2324691)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C21H22N2O2S/c1-22(2)16-8-5-7-15(13-16)19-11-12-20(26-19)21(24)23(3)17-9-6-10-18(14-17)25-4/h5-14H,1-4H3
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n/an/a 169n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50241159
PNG
(CHEMBL373383 | N-butyl-6-((6R,8R,9S,13S,14S,17S)-3...)
Show SMILES CCCCN(C)C(=O)CCCCCS[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc12
Show InChI InChI=1S/C29H45NO3S/c1-4-5-16-30(3)28(33)9-7-6-8-17-34-26-19-23-22(21-11-10-20(31)18-24(21)26)14-15-29(2)25(23)12-13-27(29)32/h10-11,18,22-23,25-27,31-32H,4-9,12-17,19H2,1-3H3/t22-,23-,25+,26-,27+,29+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol


J Med Chem 51: 4188-99 (2008)


Article DOI: 10.1021/jm800054h
BindingDB Entry DOI: 10.7270/Q2Q81F0N
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(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
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 172n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11betaHSD1 expressed in 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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426585
PNG
(CHEMBL2324366)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1c(F)ccc(OC)c1F
Show InChI InChI=1S/C20H17F2NO3S/c1-23(12-5-4-6-13(11-12)25-2)20(24)17-10-9-16(27-17)18-14(21)7-8-15(26-3)19(18)22/h4-11H,1-3H3
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n/an/a 184n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50339807
PNG
(CHEMBL1689277 | N-[(3beta,18beta,20beta)-3-(Acetox...)
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(=O)NS(=O)(=O)C(F)(F)F)C1(C)C
Show InChI InChI=1S/C33H49F3N2O6S/c1-19(39)44-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(40)17-20-21-18-29(5,15-13-28(21,4)14-16-31(20,32)7)37-26(41)38-45(42,43)33(34,35)36/h17,21,23-25H,9-16,18H2,1-8H3,(H2,37,38,41)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
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n/an/a 194n/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 2


(Homo sapiens (Human))
BDBM50188385
PNG
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
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)C1(C)C
Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
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n/an/a 201n/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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426594
PNG
(CHEMBL2324683)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-20(15-9-6-10-16(13-15)22-2)19(21)18-12-11-17(23-18)14-7-4-3-5-8-14/h3-13H,1-2H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426591
PNG
(CHEMBL2324693)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-8-16(12-14)21(2)20(22)19-11-10-18(24-19)15-7-5-9-17(13-15)23-3/h4-13H,1-3H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426592
PNG
(CHEMBL2324692)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(SC)c1
Show InChI InChI=1S/C20H19NO2S2/c1-21(15-7-5-8-16(13-15)23-2)20(22)19-11-10-18(25-19)14-6-4-9-17(12-14)24-3/h4-13H,1-3H3
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n/an/a 242n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50426584
PNG
(CHEMBL2324367)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C20H18FNO3S/c1-22(14-5-4-6-15(12-14)24-2)20(23)19-10-9-18(26-19)13-7-8-17(25-3)16(21)11-13/h4-12H,1-3H3
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n/an/a 242n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 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
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 257n/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 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
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 257n/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 2


(Homo sapiens (Human))
BDBM50329191
PNG
((2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR,E)-10-(methoxyi...)
Show SMILES CO\N=C1/CC[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
Show InChI InChI=1S/C31H47NO4/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/h17,20,22,24H,9-16,18H2,1-8H3,(H,34,35)/b32-23+/t20-,22-,24+,27+,28-,29-,30+,31+/m0/s1
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n/an/a 268n/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 2


(Homo sapiens (Human))
BDBM50188386
PNG
(2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...)
Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1
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n/an/a 280n/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
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