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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'shao' and Initial = 'd'   
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))		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
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8979
PNG
(CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
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n/an/a 6n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		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 7.40n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8980
PNG
(N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetr...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H34N4O/c33-27(29-18-21-14-16-32(17-15-21)20-22-8-2-1-3-9-22)19-30-28-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)28/h1-4,6,8-10,12,21H,5,7,11,13-20H2,(H,29,33)(H,30,31)
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n/an/a 10.2n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
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 11n/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-HSD1 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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8980
PNG
(N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetr...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H34N4O/c33-27(29-18-21-14-16-32(17-15-21)20-22-8-2-1-3-9-22)19-30-28-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)28/h1-4,6,8-10,12,21H,5,7,11,13-20H2,(H,29,33)(H,30,31)
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n/an/a 12.4n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50267570
PNG
(CHEMBL4081242)
Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC=C(C)C(O)C1 |r,t:13|
Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13?,15-/m0/s1
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n/an/a 13n/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 human N-terminal His-tagged 11beta-HSD1 expressed in Escherichia coli using cortisol as substrate by fluorescence-based assay

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 1


(Homo sapiens (Human))		BDBM50080413
PNG
(CHEMBL3422265)
Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r|
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 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 29n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Homo sapiens (Human))		BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r,c:2|
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Mus musculus (mouse))		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 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8979
PNG
(CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
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n/an/a 76n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50080412
PNG
(CHEMBL3422266)
Show SMILES [H][C@@]12[C@H](O)CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r|
Show InChI InChI=1S/C24H38O5/c1-13(25)29-15-12-17-22(4)9-8-18(27)21(2,3)16(22)7-10-23(17,5)24(6)19(28)11-14(26)20(15)24/h14-18,20,26-27H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,20+,22+,23-,24-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 92n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50267595
PNG
(CHEMBL4071679)
Show SMILES [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC(C)=O)C(=O)CCCC(C)C |r|
Show InChI InChI=1S/C33H54O5/c1-20(2)11-10-12-24(36)23-13-17-33(9)29(23)25(37-21(3)34)19-27-31(7)16-15-28(38-22(4)35)30(5,6)26(31)14-18-32(27,33)8/h20,23,25-29H,10-19H2,1-9H3/t23-,25-,26+,27-,28+,29+,31+,32-,33-/m1/s1
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n/an/a 101n/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-HSD1 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 1


(Homo sapiens (Human))		BDBM50080424
PNG
(CHEMBL3422264)
Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC |r|
Show InChI InChI=1S/C23H38O4/c1-20(2)15-7-10-22(4)16(21(15,3)9-8-17(20)25)11-13(24)19-14(27-6)12-18(26)23(19,22)5/h13-17,19,24-25H,7-12H2,1-6H3/t13-,14-,15+,16-,17+,19-,21+,22-,23-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Mus musculus (mouse))		BDBM50267560
PNG
(CHEMBL4102864)
Show SMILES [H][C@@]12[C@@H](O)CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC(C)=O |r|
Show InChI InChI=1S/C24H40O4/c1-14(25)28-19-9-10-22(4)17(21(19,2)3)8-12-23(5)18(22)13-16(27)20-15(26)7-11-24(20,23)6/h15-20,26-27H,7-13H2,1-6H3/t15-,16+,17-,18+,19-,20-,22-,23+,24+/m0/s1
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n/an/a 213n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 223n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8982
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro...)
Show SMILES O=C(CNC1CCc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O/c29-25(18-27-24-11-10-22-8-4-5-9-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,20,24,27H,10-19H2,(H,26,29)
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n/an/a 230n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50267600
PNG
(CHEMBL4088895)
Show SMILES [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC(C)=O)C(C)=O |r|
Show InChI InChI=1S/C28H44O5/c1-16(29)19-9-13-28(8)24(19)20(32-17(2)30)15-22-26(6)12-11-23(33-18(3)31)25(4,5)21(26)10-14-27(22,28)7/h19-24H,9-15H2,1-8H3/t19-,20-,21+,22-,23+,24+,26+,27-,28-/m1/s1
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n/an/a 244n/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-HSD1 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 1


(Homo sapiens (Human))		BDBM50080411
PNG
(CHEMBL3422415)
Show SMILES [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O |r,c:2|
Show InChI InChI=1S/C22H34O3/c1-19(2)15-8-11-21(4)16(20(15,3)10-9-17(19)24)12-14(23)13-6-7-18(25)22(13,21)5/h6-7,13-17,23-24H,8-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,21+,22-/m0/s1
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n/an/a 395n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Mus musculus (mouse))		BDBM50267592
PNG
(CHEMBL4060927)
Show SMILES [H][C@@]12[C@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r|
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16+,17-,18+,19-,21-,23-,24+,25+/m0/s1
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n/an/a 400n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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 1


(Mus musculus (mouse))		BDBM50267561
PNG
(CHEMBL4084451)
Show SMILES [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC(C)=O)C(C)=O |r|
Show InChI InChI=1S/C26H42O4/c1-15(27)17-8-12-26(7)22(17)18(29)14-20-24(5)11-10-21(30-16(2)28)23(3,4)19(24)9-13-25(20,26)6/h17-22,29H,8-14H2,1-7H3/t17-,18-,19+,20-,21+,22+,24+,25-,26-/m1/s1
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n/an/a 454n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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 1


(Mus musculus (mouse))		BDBM50267570
PNG
(CHEMBL4081242)
Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC=C(C)C(O)C1 |r,t:13|
Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13?,15-/m0/s1
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n/an/a 460n/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 mouse N-terminal His-tagged 11beta-HSD1 expressed in Escherichia coli using cortisol as substrate by fluorescence-based assay

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 1


(Mus musculus (mouse))		BDBM50267558
PNG
(CHEMBL4065535)
Show SMILES [H][C@@]12[C@@H](CO)CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O |r|
Show InChI InChI=1S/C23H40O3/c1-20(2)16-7-11-22(4)17(21(16,3)9-8-18(20)26)12-15(25)19-14(13-24)6-10-23(19,22)5/h14-19,24-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18+,19+,21+,22-,23-/m1/s1
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n/an/a 476n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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 1


(Homo sapiens (Human))		BDBM50267601
PNG
(CHEMBL4087459)
Show SMILES [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC(C)=O)C(=O)CO |r|
Show InChI InChI=1S/C28H44O6/c1-16(30)33-20-14-22-26(5)11-10-23(34-17(2)31)25(3,4)21(26)9-13-27(22,6)28(7)12-8-18(24(20)28)19(32)15-29/h18,20-24,29H,8-15H2,1-7H3/t18-,20-,21+,22-,23+,24+,26+,27-,28-/m1/s1
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n/an/a 488n/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-HSD1 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 1


(Mus musculus (mouse))		BDBM50267559
PNG
(CHEMBL4102413)
Show SMILES [H][C@@]12CCC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O |r|
Show InChI InChI=1S/C22H38O2/c1-19(2)16-8-12-22(5)17(20(16,3)11-9-18(19)24)13-15(23)14-7-6-10-21(14,22)4/h14-18,23-24H,6-13H2,1-5H3/t14-,15+,16-,17+,18-,20-,21+,22+/m0/s1
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n/an/a 592n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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 1


(Mus musculus (mouse))		BDBM50267593
PNG
(CHEMBL4059599)
Show SMILES [H][C@]12[C@H](O)C[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]2(O)C(C)=O |r|
Show InChI InChI=1S/C24H40O4/c1-14(25)24(28)12-11-23(6)19(24)15(26)13-17-21(4)9-8-18(27)20(2,3)16(21)7-10-22(17,23)5/h15-19,26-28H,7-13H2,1-6H3/t15-,16+,17-,18+,19+,21+,22-,23-,24-/m1/s1
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n/an/a 601n/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 mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8981
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimeth...)
Show SMILES COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O4/c1-31-22-9-8-21(16-23(22)32-2)25(30)27-17-24(29)26-13-10-19-11-14-28(15-12-19)18-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 662n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50267624
PNG
(CHEMBL4064979)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@@H](O)C(=O)[C@@]3(C)CCC(=O)CC)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C |r|
Show InChI InChI=1S/C26H42O5/c1-8-17(28)9-13-26(7)22(30)18(29)15-20-24(5)12-11-21(31-16(2)27)23(3,4)19(24)10-14-25(20,26)6/h18-21,29H,8-15H2,1-7H3/t18-,19+,20-,21+,24+,25-,26-/m1/s1
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n/an/a 729n/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-HSD1 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
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8983
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-{5H,10H-inde...)
Show SMILES O=C(CNC1c2ccccc2-c2[nH]c3ccccc3c12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H34N4O/c36-28(32-17-14-22-15-18-35(19-16-22)21-23-8-2-1-3-9-23)20-33-30-24-10-4-5-11-25(24)31-29(30)26-12-6-7-13-27(26)34-31/h1-13,22,30,33-34H,14-21H2,(H,32,36)
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n/an/a 869n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50267560
PNG
(CHEMBL4102864)
Show SMILES [H][C@@]12[C@@H](O)CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC(C)=O |r|
Show InChI InChI=1S/C24H40O4/c1-14(25)28-19-9-10-22(4)17(21(19,2)3)8-12-23(5)18(22)13-16(27)20-15(26)7-11-24(20,23)6/h15-20,26-27H,7-13H2,1-6H3/t15-,16+,17-,18+,19-,20-,22-,23+,24+/m0/s1
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n/an/a 994n/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-HSD1 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 1


(Homo sapiens (Human))		BDBM50267594
PNG
(CHEMBL4103361)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC(=O)C4=CCC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:11|
Show InChI InChI=1S/C22H34O2/c1-19(2)16-8-12-22(5)17(20(16,3)11-9-18(19)24)13-15(23)14-7-6-10-21(14,22)4/h7,16-18,24H,6,8-13H2,1-5H3/t16-,17+,18-,20-,21+,22+/m0/s1
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n/an/a 1.05E+3n/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-HSD1 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 1


(Mus musculus (mouse))		BDBM50080424
PNG
(CHEMBL3422264)
Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC |r|
Show InChI InChI=1S/C23H38O4/c1-20(2)15-7-10-22(4)16(21(15,3)9-8-17(20)25)11-13(24)19-14(27-6)12-18(26)23(19,22)5/h13-17,19,24-25H,7-12H2,1-6H3/t13-,14-,15+,16-,17+,19-,21+,22-,23-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Mus musculus (mouse))		BDBM50080411
PNG
(CHEMBL3422415)
Show SMILES [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O |r,c:2|
Show InChI InChI=1S/C22H34O3/c1-19(2)15-8-11-21(4)16(20(15,3)10-9-17(19)24)12-14(23)13-6-7-18(25)22(13,21)5/h6-7,13-17,23-24H,8-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,21+,22-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Mus musculus (mouse))		BDBM50080413
PNG
(CHEMBL3422265)
Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r|
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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 1


(Mus musculus (mouse))		BDBM50080412
PNG
(CHEMBL3422266)
Show SMILES [H][C@@]12[C@H](O)CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r|
Show InChI InChI=1S/C24H38O5/c1-13(25)29-15-12-17-22(4)9-8-18(27)21(2,3)16(22)7-10-23(17,5)24(6)19(28)11-14(26)20(15)24/h14-18,20,26-27H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,20+,22+,23-,24-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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))		BDBM50267624
PNG
(CHEMBL4064979)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@@H](O)C(=O)[C@@]3(C)CCC(=O)CC)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C |r|
Show InChI InChI=1S/C26H42O5/c1-8-17(28)9-13-26(7)22(30)18(29)15-20-24(5)12-11-21(31-16(2)27)23(3,4)19(24)10-14-25(20,26)6/h18-21,29H,8-15H2,1-7H3/t18-,19+,20-,21+,24+,25-,26-/m1/s1
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n/an/a 6.26E+3n/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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8982
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro...)
Show SMILES O=C(CNC1CCc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O/c29-25(18-27-24-11-10-22-8-4-5-9-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,20,24,27H,10-19H2,(H,26,29)
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n/an/a 6.92E+3n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r,c:2|
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...

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))		BDBM50267594
PNG
(CHEMBL4103361)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC(=O)C4=CCC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:11|
Show InChI InChI=1S/C22H34O2/c1-19(2)16-8-12-22(5)17(20(16,3)11-9-18(19)24)13-15(23)14-7-6-10-21(14,22)4/h7,16-18,24H,6,8-13H2,1-5H3/t16-,17+,18-,20-,21+,22+/m0/s1
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n/an/a 9.58E+3n/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


(Mus musculus (mouse))		BDBM50267561
PNG
(CHEMBL4084451)
Show SMILES [H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC(C)=O)C(C)=O |r|
Show InChI InChI=1S/C26H42O4/c1-15(27)17-8-12-26(7)22(17)18(29)14-20-24(5)11-10-21(30-16(2)28)23(3,4)19(24)9-13-25(20,26)6/h17-22,29H,8-14H2,1-7H3/t17-,18-,19+,20-,21+,22+,24+,25-,26-/m1/s1
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n/an/a>1.00E+4n/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 mouse 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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


(Mus musculus (mouse))		BDBM50267560
PNG
(CHEMBL4102864)
Show SMILES [H][C@@]12[C@@H](O)CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC(C)=O |r|
Show InChI InChI=1S/C24H40O4/c1-14(25)28-19-9-10-22(4)17(21(19,2)3)8-12-23(5)18(22)13-16(27)20-15(26)7-11-24(20,23)6/h15-20,26-27H,7-13H2,1-6H3/t15-,16+,17-,18+,19-,20-,22-,23+,24+/m0/s1
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n/an/a>1.00E+4n/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 mouse 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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


(Mus musculus (mouse))		BDBM50267558
PNG
(CHEMBL4065535)
Show SMILES [H][C@@]12[C@@H](CO)CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O |r|
Show InChI InChI=1S/C23H40O3/c1-20(2)16-7-11-22(4)17(21(16,3)9-8-18(20)26)12-15(25)19-14(13-24)6-10-23(19,22)5/h14-19,24-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18+,19+,21+,22-,23-/m1/s1
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n/an/a>1.00E+4n/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 mouse 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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


(Mus musculus (mouse))		BDBM50267593
PNG
(CHEMBL4059599)
Show SMILES [H][C@]12[C@H](O)C[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]2(O)C(C)=O |r|
Show InChI InChI=1S/C24H40O4/c1-14(25)24(28)12-11-23(6)19(24)15(26)13-17-21(4)9-8-18(27)20(2,3)16(21)7-10-22(17,23)5/h15-19,26-28H,7-13H2,1-6H3/t15-,16+,17-,18+,19+,21+,22-,23-,24-/m1/s1
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n/an/a>1.00E+4n/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 mouse 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 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))		BDBM50267560
PNG
(CHEMBL4102864)
Show SMILES [H][C@@]12[C@@H](O)CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC(C)=O |r|
Show InChI InChI=1S/C24H40O4/c1-14(25)28-19-9-10-22(4)17(21(19,2)3)8-12-23(5)18(22)13-16(27)20-15(26)7-11-24(20,23)6/h15-20,26-27H,7-13H2,1-6H3/t15-,16+,17-,18+,19-,20-,22-,23+,24+/m0/s1
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n/an/a>1.00E+4n/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))		BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r,c:2|
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
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n/an/a 1.13E+4n/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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8983
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-{5H,10H-inde...)
Show SMILES O=C(CNC1c2ccccc2-c2[nH]c3ccccc3c12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H34N4O/c36-28(32-17-14-22-15-18-35(19-16-22)21-23-8-2-1-3-9-23)20-33-30-24-10-4-5-11-25(24)31-29(30)26-12-6-7-13-27(26)34-31/h1-13,22,30,33-34H,14-21H2,(H,32,36)
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n/an/a 1.78E+4n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8981
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimeth...)
Show SMILES COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O4/c1-31-22-9-8-21(16-23(22)32-2)25(30)27-17-24(29)26-13-10-19-11-14-28(15-12-19)18-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,29)(H,27,30)
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UniProtKB/TrEMBL

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PC sid
UniChem

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PubMed
n/an/a 1.92E+4n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...

Bioorg Med Chem Lett 14: 4639-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.005
BindingDB Entry DOI: 10.7270/Q23X84VR
More data for this
Ligand-Target Pair
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