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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50033116   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 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))		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))		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))		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))		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 1


(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 |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 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 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 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 |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 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 type 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 |r,t:18|
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 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 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 type 2


(Rattus norvegicus)		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 360n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat renal 11beta-HSD2

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))		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 504n/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 type 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 |r,t:18|
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 750n/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 1


(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 778n/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))		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 1.01E+3n/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 type 2


(Homo sapiens (Human))		BDBM50339810
PNG
(1-((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a...)
Show SMILES C[C@@]1(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)NC(N)=O |r,c:10|
Show InChI InChI=1S/C32H48N4O5/c1-27(2)21-8-11-32(7)23(30(21,5)10-9-22(27)40-25-34-26(39)41-36-25)20(37)16-18-19-17-29(4,35-24(33)38)14-12-28(19,3)13-15-31(18,32)6/h16,19,21-23H,8-15,17H2,1-7H3,(H3,33,35,38)(H,34,36,39)/t19-,21-,22-,23+,28+,29-,30-,31+,32+/m0/s1
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n/an/a>4.00E+3n/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 1


(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 |r,t:18|
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 4.00E+3n/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))		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 5.40E+3n/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))		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 |r,t:18|
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 7.10E+3n/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))		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 8.30E+3n/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))		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>1.00E+4n/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))		BDBM50339810
PNG
(1-((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a...)
Show SMILES C[C@@]1(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)NC(N)=O |r,c:10|
Show InChI InChI=1S/C32H48N4O5/c1-27(2)21-8-11-32(7)23(30(21,5)10-9-22(27)40-25-34-26(39)41-36-25)20(37)16-18-19-17-29(4,35-24(33)38)14-12-28(19,3)13-15-31(18,32)6/h16,19,21-23H,8-15,17H2,1-7H3,(H3,33,35,38)(H,34,36,39)/t19-,21-,22-,23+,28+,29-,30-,31+,32+/m0/s1
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n/an/a>4.00E+4n/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))		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>4.00E+4n/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))		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 4.50E+4n/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