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PubMed code 26820555

Compile data set for download or QSAR
Found 87 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))		BDBM50145438
PNG
(CHEMBL3764124)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:29,t:3|
Show InChI InChI=1S/C24H26O3S/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-28(26,27)22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145444
PNG
(CHEMBL3763187)
Show SMILES [#6]-[#6](-[#6])-[#6]1=[#6]-[#6]-[#6@H](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]11[#6]-[#6]-[#6](=O)-[#6]=[#6]1 |r,c:26,t:3|
Show InChI InChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145448
PNG
(CHEMBL3764520)
Show SMILES CCn1c2ccccc2c2nnc(SC[C@H]3CC=C(C(C)C)[C@@]33CCC(=O)C=C3)nc12 |r,c:29,t:18|
Show InChI InChI=1S/C25H28N4OS/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)31-15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145436
PNG
(CHEMBL3763512)
Show SMILES CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:35,t:24|
Show InChI InChI=1S/C25H28N4O3S/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)33(31,32)15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145442
PNG
(CHEMBL3765140)
Show SMILES CC(C)C1=CC[C@H](C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)[C@]11CCC(=O)C=C1 |r,c:31,t:3,TLB:19:14:21:18.17.20,19:18:21:15.14.13,THB:13:14:17:21.12.20,13:12:15.14.19:17,10:12:15.14.19:17|
Show InChI InChI=1S/C26H37NO2/c1-16(2)22-4-5-23(26(22)8-6-21(28)7-9-26)24(29)27-17(3)25-13-18-10-19(14-25)12-20(11-18)15-25/h4,6,8,16-20,23H,5,7,9-15H2,1-3H3,(H,27,29)/t17?,18?,19?,20?,23-,25?,26-/m1/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145443
PNG
(CHEMBL3765321)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCC2CCC3CC2C3(C)C)[C@]11CCC(=O)C=C1 |r,c:28,t:3,TLB:10:11:17:15|
Show InChI InChI=1S/C24H35NO2/c1-15(2)19-7-8-20(24(19)11-9-18(26)10-12-24)22(27)25-14-16-5-6-17-13-21(16)23(17,3)4/h7,9,11,15-17,20-21H,5-6,8,10,12-14H2,1-4H3,(H,25,27)/t16?,17?,20-,21?,24-/m1/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145435
PNG
(CHEMBL3765510)
Show SMILES CCCCCCSc1nnc(s1)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:30,t:19|
Show InChI InChI=1S/C22H32N2O3S3/c1-4-5-6-7-14-28-20-23-24-21(29-20)30(26,27)15-17-8-9-19(16(2)3)22(17)12-10-18(25)11-13-22/h9-10,12,16-17H,4-8,11,13-15H2,1-3H3/t17-,22+/m1/s1
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n/an/a 1.21E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145439
PNG
(CHEMBL3764221)
Show SMILES CC(C)C1=CC[C@H](C(=O)Nc2ncc(s2)-c2ccc(Cl)cc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3|
Show InChI InChI=1S/C23H23ClN2O2S/c1-14(2)18-7-8-19(23(18)11-9-17(27)10-12-23)21(28)26-22-25-13-20(29-22)15-3-5-16(24)6-4-15/h3-7,9,11,13-14,19H,8,10,12H2,1-2H3,(H,25,26,28)/t19-,23-/m1/s1
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n/an/a 1.22E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145437
PNG
(CHEMBL3763813)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nnnn2-c2ccccc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3|
Show InChI InChI=1S/C21H24N4O3S/c1-15(2)19-9-8-16(21(19)12-10-18(26)11-13-21)14-29(27,28)20-22-23-24-25(20)17-6-4-3-5-7-17/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3/t16-,21+/m1/s1
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n/an/a 2.45E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145429
PNG
(CHEMBL3763599)
Show SMILES CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3S2(=O)=O)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H23NO4S/c1-14(2)18-8-7-15(21(18)11-9-16(23)10-12-21)13-22-20(24)17-5-3-4-6-19(17)27(22,25)26/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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n/an/a 3.41E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145428
PNG
(CHEMBL3764299)
Show SMILES CC(C)C1=CC[C@H](Cn2cc(CN(c3ncccn3)S(=O)(=O)c3ccc(N)cc3)nn2)[C@]11CCC(=O)C=C1 |r,c:40,t:3|
Show InChI InChI=1S/C27H31N7O3S/c1-19(2)25-9-4-20(27(25)12-10-23(35)11-13-27)16-33-17-22(31-32-33)18-34(26-29-14-3-15-30-26)38(36,37)24-7-5-21(28)6-8-24/h3,5-10,12,14-15,17,19-20H,4,11,13,16,18,28H2,1-2H3/t20-,27+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145435
PNG
(CHEMBL3765510)
Show SMILES CCCCCCSc1nnc(s1)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:30,t:19|
Show InChI InChI=1S/C22H32N2O3S3/c1-4-5-6-7-14-28-20-23-24-21(29-20)30(26,27)15-17-8-9-19(16(2)3)22(17)12-10-18(25)11-13-22/h9-10,12,16-17H,4-8,11,13-15H2,1-3H3/t17-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145442
PNG
(CHEMBL3765140)
Show SMILES CC(C)C1=CC[C@H](C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)[C@]11CCC(=O)C=C1 |r,c:31,t:3,TLB:19:14:21:18.17.20,19:18:21:15.14.13,THB:13:14:17:21.12.20,13:12:15.14.19:17,10:12:15.14.19:17|
Show InChI InChI=1S/C26H37NO2/c1-16(2)22-4-5-23(26(22)8-6-21(28)7-9-26)24(29)27-17(3)25-13-18-10-19(14-25)12-20(11-18)15-25/h4,6,8,16-20,23H,5,7,9-15H2,1-3H3,(H,27,29)/t17?,18?,19?,20?,23-,25?,26-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145464
PNG
(CHEMBL3765260)
Show SMILES [H][C@]12O[C@@]1([H])[C@]1(CCC2=O)[C@@H](CO)Cc2ccccc12 |r|
Show InChI InChI=1S/C15H16O3/c16-8-10-7-9-3-1-2-4-11(9)15(10)6-5-12(17)13-14(15)18-13/h1-4,10,13-14,16H,5-8H2/t10-,13-,14-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145480
PNG
(CHEMBL3763401)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]11CCC(=O)C=C1 |r,c:18|
Show InChI InChI=1S/C16H24O3/c1-4-19-15(18)14-6-5-13(11(2)3)16(14)9-7-12(17)8-10-16/h7,9,11,13-14H,4-6,8,10H2,1-3H3/t13-,14+,16+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145500
PNG
(CHEMBL3764932)
Show SMILES CC(C)C1=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)[C@]11CC[C@@](C)(O)C=C1 |r,c:24,t:3|
Show InChI InChI=1S/C21H36O3Si/c1-15(2)16-13-18(22)17(14-24-25(7,8)19(3,4)5)21(16)11-9-20(6,23)10-12-21/h9,11,13,15,17,23H,10,12,14H2,1-8H3/t17-,20-,21+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145508
PNG
(CHEMBL3765626)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CC[C@@](C)(O)C=C1 |r,c:16,t:3|
Show InChI InChI=1S/C15H24O2/c1-11(2)13-5-4-12(10-16)15(13)8-6-14(3,17)7-9-15/h5-6,8,11-12,16-17H,4,7,9-10H2,1-3H3/t12-,14+,15+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145576
PNG
(CHEMBL3764226)
Show SMILES OC[C@H]1CC=C(COCc2ccccc2)[C@@]11CCC(=O)C=C1 |r,c:22,t:4|
Show InChI InChI=1S/C19H22O3/c20-12-16-6-7-17(19(16)10-8-18(21)9-11-19)14-22-13-15-4-2-1-3-5-15/h1-5,7-8,10,16,20H,6,9,11-14H2/t16-,19+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145578
PNG
(CHEMBL3765104)
Show SMILES CC(C)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@]11CCC(C)=CC1=O |r,c:21,t:3|
Show InChI InChI=1S/C21H36O2Si/c1-15(2)18-10-9-17(14-23-24(7,8)20(4,5)6)21(18)12-11-16(3)13-19(21)22/h10,13,15,17H,9,11-12,14H2,1-8H3/t17-,21-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145580
PNG
(CHEMBL3763916)
Show SMILES OC[C@H]1CC=C(c2ccccc2)[C@@]11CCC(=O)C=C1 |r,c:19,t:4|
Show InChI InChI=1S/C17H18O2/c18-12-14-6-7-16(13-4-2-1-3-5-13)17(14)10-8-15(19)9-11-17/h1-5,7-8,10,14,18H,6,9,11-12H2/t14-,17+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145441
PNG
(CHEMBL3765258)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCc2cc(F)cc(F)c2)[C@]11CCC(=O)C=C1 |r,c:26,t:3|
Show InChI InChI=1S/C21H23F2NO2/c1-13(2)18-3-4-19(21(18)7-5-17(25)6-8-21)20(26)24-12-14-9-15(22)11-16(23)10-14/h3,5,7,9-11,13,19H,4,6,8,12H2,1-2H3,(H,24,26)/t19-,21-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145477
PNG
(CHEMBL3765212)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@]11CCC(=O)[C@H](C1)OC(C)=O |r|
Show InChI InChI=1S/C18H28O5/c1-5-22-17(21)14-7-6-13(11(2)3)18(14)9-8-15(20)16(10-18)23-12(4)19/h11,13-14,16H,5-10H2,1-4H3/t13-,14+,16-,18+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145479
PNG
(CHEMBL3765682)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]11CCC(=C)C=C1 |r,c:18|
Show InChI InChI=1S/C17H26O2/c1-5-19-16(18)15-7-6-14(12(2)3)17(15)10-8-13(4)9-11-17/h8,10,12,14-15H,4-7,9,11H2,1-3H3/t14-,15+,17+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145535
PNG
(CHEMBL3765185)
Show SMILES CC(C)C1=CC[C@H](C(N)=O)[C@]11CCC(=O)C=C1 |r,c:16,t:3|
Show InChI InChI=1S/C14H19NO2/c1-9(2)11-3-4-12(13(15)17)14(11)7-5-10(16)6-8-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H2,15,17)/t12-,14-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145439
PNG
(CHEMBL3764221)
Show SMILES CC(C)C1=CC[C@H](C(=O)Nc2ncc(s2)-c2ccc(Cl)cc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3|
Show InChI InChI=1S/C23H23ClN2O2S/c1-14(2)18-7-8-19(23(18)11-9-17(27)10-12-23)21(28)26-22-25-13-20(29-22)15-3-5-16(24)6-4-15/h3-7,9,11,13-14,19H,8,10,12H2,1-2H3,(H,25,26,28)/t19-,23-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145448
PNG
(CHEMBL3764520)
Show SMILES CCn1c2ccccc2c2nnc(SC[C@H]3CC=C(C(C)C)[C@@]33CCC(=O)C=C3)nc12 |r,c:29,t:18|
Show InChI InChI=1S/C25H28N4OS/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)31-15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145428
PNG
(CHEMBL3764299)
Show SMILES CC(C)C1=CC[C@H](Cn2cc(CN(c3ncccn3)S(=O)(=O)c3ccc(N)cc3)nn2)[C@]11CCC(=O)C=C1 |r,c:40,t:3|
Show InChI InChI=1S/C27H31N7O3S/c1-19(2)25-9-4-20(27(25)12-10-23(35)11-13-27)16-33-17-22(31-32-33)18-34(26-29-14-3-15-30-26)38(36,37)24-7-5-21(28)6-8-24/h3,5-10,12,14-15,17,19-20H,4,11,13,16,18,28H2,1-2H3/t20-,27+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145472
PNG
(CHEMBL3763488)
Show SMILES [H][C@]12CC[C@@H](C(C)C)[C@@]11CC[C@@](C)(O)[C@@H](O)[C@@]1([H])OC2 |r|
Show InChI InChI=1S/C15H26O3/c1-9(2)11-5-4-10-8-18-13-12(16)14(3,17)6-7-15(10,11)13/h9-13,16-17H,4-8H2,1-3H3/t10-,11+,12+,13-,14-,15-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145482
PNG
(CHEMBL3765531)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CC[C@@](C)(O)C[C@H]1O |r,t:3|
Show InChI InChI=1S/C15H26O3/c1-10(2)12-5-4-11(9-16)15(12)7-6-14(3,18)8-13(15)17/h5,10-11,13,16-18H,4,6-9H2,1-3H3/t11-,13-,14-,15-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145483
PNG
(CHEMBL3764331)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CC[C@@](C)(O)[C@@H](O)C1 |r,t:3|
Show InChI InChI=1S/C15H26O3/c1-10(2)12-5-4-11(9-16)15(12)7-6-14(3,18)13(17)8-15/h5,10-11,13,16-18H,4,6-9H2,1-3H3/t11-,13+,14-,15-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145581
PNG
(CHEMBL3763293)
Show SMILES CC1=CC[C@H](CO)[C@]11CCC(=O)C=C1 |r,c:13,t:1|
Show InChI InChI=1S/C12H16O2/c1-9-2-3-10(8-13)12(9)6-4-11(14)5-7-12/h2,4,6,10,13H,3,5,7-8H2,1H3/t10-,12-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145582
PNG
(CHEMBL3764924)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CCC(=O)C=C1 |r,c:15,t:3|
Show InChI InChI=1S/C14H20O2/c1-10(2)13-4-3-11(9-15)14(13)7-5-12(16)6-8-14/h4-5,7,10-11,15H,3,6,8-9H2,1-2H3/t11-,14+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145446
PNG
(CHEMBL3765604)
Show SMILES CC(C)C1=CC[C@H](CSc2nc3ccccc3o2)[C@]11CCC(=O)C=C1 |r,c:26,t:3|
Show InChI InChI=1S/C21H23NO2S/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-25-20-22-18-5-3-4-6-19(18)24-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145432
PNG
(CHEMBL3764563)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1cn(C[C@H]2CC=C(C(C)C)[C@@]22CCC(=O)C=C2)nn1 |r,c:31,t:20|
Show InChI InChI=1S/C24H30N4O4S/c1-17(2)23-9-4-18(24(23)12-10-20(29)11-13-24)15-28-16-19(26-27-28)14-25-33(30,31)22-7-5-21(32-3)6-8-22/h5-10,12,16-18,25H,4,11,13-15H2,1-3H3/t18-,24+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145437
PNG
(CHEMBL3763813)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nnnn2-c2ccccc2)[C@]11CCC(=O)C=C1 |r,c:30,t:3|
Show InChI InChI=1S/C21H24N4O3S/c1-15(2)19-9-8-16(21(19)12-10-18(26)11-13-21)14-29(27,28)20-22-23-24-25(20)17-6-4-3-5-7-17/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3/t16-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145443
PNG
(CHEMBL3765321)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCC2CCC3CC2C3(C)C)[C@]11CCC(=O)C=C1 |r,c:28,t:3,TLB:10:11:17:15|
Show InChI InChI=1S/C24H35NO2/c1-15(2)19-7-8-20(24(19)11-9-18(26)10-12-24)22(27)25-14-16-5-6-17-13-21(16)23(17,3)4/h7,9,11,15-17,20-21H,5-6,8,10,12-14H2,1-4H3,(H,25,27)/t16?,17?,20-,21?,24-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145445
PNG
(CHEMBL3764012)
Show SMILES CC(C)C1=CC[C@H](CSc2nc3ccccc3s2)[C@]11CCC(=O)C=C1 |r,c:26,t:3|
Show InChI InChI=1S/C21H23NOS2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-24-20-22-18-5-3-4-6-19(18)25-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145429
PNG
(CHEMBL3763599)
Show SMILES CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3S2(=O)=O)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H23NO4S/c1-14(2)18-8-7-15(21(18)11-9-16(23)10-12-21)13-22-20(24)17-5-3-4-6-19(17)27(22,25)26/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145461
PNG
(CHEMBL3765659)
Show SMILES C[C@H]1CC[C@]2([C@H](Cc3ccccc23)C(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H20O4/c1-9-6-7-16(14(18)13(9)17)11-5-3-2-4-10(11)8-12(16)15(19)20/h2-5,9,12-14,17-18H,6-8H2,1H3,(H,19,20)/t9-,12+,13+,14+,16-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145466
PNG
(CHEMBL3763945)
Show SMILES [H][C@@]12CO[C@]3([H])[C@H](O)[C@](C)(O)CC[C@]13c1ccccc1C2 |r|
Show InChI InChI=1S/C16H20O3/c1-15(18)6-7-16-11(9-19-14(16)13(15)17)8-10-4-2-3-5-12(10)16/h2-5,11,13-14,17-18H,6-9H2,1H3/t11-,13+,14-,15-,16-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145475
PNG
(CHEMBL3764551)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]11C[C@H](OC(C)=O)C(=C)C(=O)C1 |r|
Show InChI InChI=1S/C19H28O5/c1-6-23-18(22)15-8-7-14(11(2)3)19(15)9-16(21)12(4)17(10-19)24-13(5)20/h11,14-15,17H,4,6-10H2,1-3,5H3/t14-,15+,17-,19+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145481
PNG
(CHEMBL3765723)
Show SMILES [H][C@]12C[C@]3(CC[C@@]1(O[Si](C)(C)C(C)(C)C)O2)[C@@H](CO[Si](C)(C)C(C)(C)C)CC=C3C(C)C |r,c:29|
Show InChI InChI=1S/C26H50O3Si2/c1-19(2)21-14-13-20(18-27-30(9,10)23(3,4)5)25(21)15-16-26(22(17-25)28-26)29-31(11,12)24(6,7)8/h14,19-20,22H,13,15-18H2,1-12H3/t20-,22+,25-,26+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145502
PNG
(CHEMBL3764064)
Show SMILES CC(C)C1=CC[C@H](CO)C11CCC(=O)CC1 |r,t:3|
Show InChI InChI=1S/C14H22O2/c1-10(2)13-4-3-11(9-15)14(13)7-5-12(16)6-8-14/h4,10-11,15H,3,5-9H2,1-2H3/t11-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145503
PNG
(CHEMBL3763445)
Show SMILES [H][C@@]12CC(=O)CC[C@@]11C(=CC[C@@]1([H])C(=O)O2)C(C)C |r,c:9|
Show InChI InChI=1S/C14H18O3/c1-8(2)10-3-4-11-13(16)17-12-7-9(15)5-6-14(10,11)12/h3,8,11-12H,4-7H2,1-2H3/t11-,12+,14-/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145536
PNG
(CHEMBL3765467)
Show SMILES CCOC(=O)[C@H]1CC=C(C(C)C)[C@@]11C[C@H](OC(C)=O)C(=O)C=C1 |r,c:22,t:7|
Show InChI InChI=1S/C18H24O5/c1-5-22-17(21)14-7-6-13(11(2)3)18(14)9-8-15(20)16(10-18)23-12(4)19/h6,8-9,11,14,16H,5,7,10H2,1-4H3/t14-,16+,18-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145449
PNG
(CHEMBL3764025)
Show SMILES CC(C)C1=CC[C@H](CSc2nnnn2-c2ccccc2)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H24N4OS/c1-15(2)19-9-8-16(21(19)12-10-18(26)11-13-21)14-27-20-22-23-24-25(20)17-6-4-3-5-7-17/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3/t16-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145430
PNG
(CHEMBL3765656)
Show SMILES CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3C2=O)[C@]11CCC(=O)C=C1 |r,c:27,t:3|
Show InChI InChI=1S/C22H23NO3/c1-14(2)19-8-7-15(22(19)11-9-16(24)10-12-22)13-23-20(25)17-5-3-4-6-18(17)21(23)26/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,22+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145438
PNG
(CHEMBL3764124)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:29,t:3|
Show InChI InChI=1S/C24H26O3S/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-28(26,27)22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145441
PNG
(CHEMBL3765258)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCc2cc(F)cc(F)c2)[C@]11CCC(=O)C=C1 |r,c:26,t:3|
Show InChI InChI=1S/C21H23F2NO2/c1-13(2)18-3-4-19(21(18)7-5-17(25)6-8-21)20(26)24-12-14-9-15(22)11-16(23)10-14/h3,5,7,9-11,13,19H,4,6,8,12H2,1-2H3,(H,24,26)/t19-,21-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145444
PNG
(CHEMBL3763187)
Show SMILES [#6]-[#6](-[#6])-[#6]1=[#6]-[#6]-[#6@H](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]11[#6]-[#6]-[#6](=O)-[#6]=[#6]1 |r,c:26,t:3|
Show InChI InChI=1S/C24H35NO2/c1-17(2)7-6-8-19(5)13-16-25-23(27)22-10-9-21(18(3)4)24(22)14-11-20(26)12-15-24/h7,9,11,13-14,18,22H,6,8,10,12,15-16H2,1-5H3,(H,25,27)/b19-13+/t22-,24-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145446
PNG
(CHEMBL3765604)
Show SMILES CC(C)C1=CC[C@H](CSc2nc3ccccc3o2)[C@]11CCC(=O)C=C1 |r,c:26,t:3|
Show InChI InChI=1S/C21H23NO2S/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-25-20-22-18-5-3-4-6-19(18)24-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145467
PNG
(CHEMBL3765443)
Show SMILES OC[C@H]1Cc2ccccc2[C@@]11CCC(=O)C=C1 |r,c:17|
Show InChI InChI=1S/C15H16O2/c16-10-12-9-11-3-1-2-4-14(11)15(12)7-5-13(17)6-8-15/h1-5,7,12,16H,6,8-10H2/t12-,15+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145478
PNG
(CHEMBL3764479)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]11C[C@H](OC(C)=O)[C@H](O)C=C1 |r,c:22|
Show InChI InChI=1S/C18H28O5/c1-5-22-17(21)14-7-6-13(11(2)3)18(14)9-8-15(20)16(10-18)23-12(4)19/h8-9,11,13-16,20H,5-7,10H2,1-4H3/t13-,14+,15+,16-,18+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145501
PNG
(CHEMBL3765438)
Show SMILES [H][C@]12O[C@@]1([H])[C@]1(CCC2=O)[C@@H](CO)CC=C1C(C)C |r,c:16|
Show InChI InChI=1S/C14H20O3/c1-8(2)10-4-3-9(7-15)14(10)6-5-11(16)12-13(14)17-12/h4,8-9,12-13,15H,3,5-7H2,1-2H3/t9-,12-,13-,14-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145431
PNG
(CHEMBL3764151)
Show SMILES CC(C)C1=CC[C@H](Cn2cc(CNC(=O)OC(C)(C)C)nn2)[C@]11CCC(=O)C=C1 |r,c:29,t:3|
Show InChI InChI=1S/C22H32N4O3/c1-15(2)19-7-6-16(22(19)10-8-18(27)9-11-22)13-26-14-17(24-25-26)12-23-20(28)29-21(3,4)5/h7-8,10,14-16H,6,9,11-13H2,1-5H3,(H,23,28)/t16-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145450
PNG
(CHEMBL3764111)
Show SMILES CC(C)C1=CC[C@H](CSc2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:27,t:3|
Show InChI InChI=1S/C24H26OS/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-26-22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145432
PNG
(CHEMBL3764563)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1cn(C[C@H]2CC=C(C(C)C)[C@@]22CCC(=O)C=C2)nn1 |r,c:31,t:20|
Show InChI InChI=1S/C24H30N4O4S/c1-17(2)23-9-4-18(24(23)12-10-20(29)11-13-24)15-28-16-19(26-27-28)14-25-33(30,31)22-7-5-21(32-3)6-8-22/h5-10,12,16-18,25H,4,11,13-15H2,1-3H3/t18-,24+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145463
PNG
(CHEMBL3763712)
Show SMILES OC(=O)[C@H]1Cc2ccccc2[C@@]11CCC(=O)C=C1 |r,c:18|
Show InChI InChI=1S/C15H14O3/c16-11-5-7-15(8-6-11)12-4-2-1-3-10(12)9-13(15)14(17)18/h1-5,7,13H,6,8-9H2,(H,17,18)/t13-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145468
PNG
(CHEMBL3764521)
Show SMILES CC(C)[C@@H]1CC[C@H](CO)[C@]11CC[C@@](C)(O)[C@@H](O)C1 |r|
Show InChI InChI=1S/C15H28O3/c1-10(2)12-5-4-11(9-16)15(12)7-6-14(3,18)13(17)8-15/h10-13,16-18H,4-9H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145469
PNG
(CHEMBL3763510)
Show SMILES CC(C)[C@@H]1CC[C@H](CO)[C@]11CC[C@@](C)(O)C[C@H]1O |r|
Show InChI InChI=1S/C15H28O3/c1-10(2)12-5-4-11(9-16)15(12)7-6-14(3,18)8-13(15)17/h10-13,16-18H,4-9H2,1-3H3/t11-,12+,13-,14-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145470
PNG
(CHEMBL3765130)
Show SMILES [H][C@]12CC[C@@H](C(C)C)[C@@]11CC[C@@](C)(O)C[C@@]1([H])OC2 |r|
Show InChI InChI=1S/C15H26O2/c1-10(2)12-5-4-11-9-17-13-8-14(3,16)6-7-15(11,12)13/h10-13,16H,4-9H2,1-3H3/t11-,12+,13-,14-,15-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145474
PNG
(CHEMBL3764618)
Show SMILES [H][C@@]12O[C@]1([H])[C@@](C)(O)CC[C@]21[C@@H](CO)CC[C@H]1C(C)C |r|
Show InChI InChI=1S/C15H26O3/c1-9(2)11-5-4-10(8-16)15(11)7-6-14(3,17)12-13(15)18-12/h9-13,16-17H,4-8H2,1-3H3/t10-,11+,12+,13-,14+,15-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145476
PNG
(CHEMBL3763525)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@]11CCC(=C)[C@H](C1)OC(C)=O |r|
Show InChI InChI=1S/C19H30O4/c1-6-22-18(21)16-8-7-15(12(2)3)19(16)10-9-13(4)17(11-19)23-14(5)20/h12,15-17H,4,6-11H2,1-3,5H3/t15-,16+,17-,19+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145575
PNG
(CHEMBL3764519)
Show SMILES CC(C)C1=CC[C@H](C(O)=O)[C@]11CCC(=O)C=C1 |r,c:16,t:3|
Show InChI InChI=1S/C14H18O3/c1-9(2)11-3-4-12(13(16)17)14(11)7-5-10(15)6-8-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,16,17)/t12-,14-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145577
PNG
(CHEMBL3763272)
Show SMILES CCOC(=O)[C@H]1CCC(=C)[C@@]11CCC(=O)C=C1 |r,c:16|
Show InChI InChI=1S/C14H18O3/c1-3-17-13(16)12-5-4-10(2)14(12)8-6-11(15)7-9-14/h6,8,12H,2-5,7,9H2,1H3/t12-,14-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145433
PNG
(CHEMBL3764356)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H23NO3S2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145440
PNG
(CHEMBL3765590)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCCc2cccs2)[C@]11CCC(=O)C=C1 |r,c:24,t:3|
Show InChI InChI=1S/C20H25NO2S/c1-14(2)17-5-6-18(20(17)10-7-15(22)8-11-20)19(23)21-12-9-16-4-3-13-24-16/h3-5,7,10,13-14,18H,6,8-9,11-12H2,1-2H3,(H,21,23)/t18-,20-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145445
PNG
(CHEMBL3764012)
Show SMILES CC(C)C1=CC[C@H](CSc2nc3ccccc3s2)[C@]11CCC(=O)C=C1 |r,c:26,t:3|
Show InChI InChI=1S/C21H23NOS2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-24-20-22-18-5-3-4-6-19(18)25-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145434
PNG
(CHEMBL3763513)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3o2)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H23NO4S/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145440
PNG
(CHEMBL3765590)
Show SMILES CC(C)C1=CC[C@H](C(=O)NCCc2cccs2)[C@]11CCC(=O)C=C1 |r,c:24,t:3|
Show InChI InChI=1S/C20H25NO2S/c1-14(2)17-5-6-18(20(17)10-7-15(22)8-11-20)19(23)21-12-9-16-4-3-13-24-16/h3-5,7,10,13-14,18H,6,8-9,11-12H2,1-2H3,(H,21,23)/t18-,20-/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145449
PNG
(CHEMBL3764025)
Show SMILES CC(C)C1=CC[C@H](CSc2nnnn2-c2ccccc2)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H24N4OS/c1-15(2)19-9-8-16(21(19)12-10-18(26)11-13-21)14-27-20-22-23-24-25(20)17-6-4-3-5-7-17/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3/t16-,21+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145431
PNG
(CHEMBL3764151)
Show SMILES CC(C)C1=CC[C@H](Cn2cc(CNC(=O)OC(C)(C)C)nn2)[C@]11CCC(=O)C=C1 |r,c:29,t:3|
Show InChI InChI=1S/C22H32N4O3/c1-15(2)19-7-6-16(22(19)10-8-18(27)9-11-22)13-26-14-17(24-25-26)12-23-20(28)29-21(3,4)5/h7-8,10,14-16H,6,9,11-13H2,1-5H3,(H,23,28)/t16-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145473
PNG
(CHEMBL3764068)
Show SMILES [H][C@@]12O[C@]1([H])[C@](C)(O)CC[C@]21[C@@H](CO)CC[C@H]1C(C)C |r|
Show InChI InChI=1S/C15H26O3/c1-9(2)11-5-4-10(8-16)15(11)7-6-14(3,17)12-13(15)18-12/h9-13,16-17H,4-8H2,1-3H3/t10-,11+,12+,13-,14-,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145484
PNG
(CHEMBL3765756)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CC[C@](C)(O)[C@@H](O)C1 |r,t:3|
Show InChI InChI=1S/C15H26O3/c1-10(2)12-5-4-11(9-16)15(12)7-6-14(3,18)13(17)8-15/h5,10-11,13,16-18H,4,6-9H2,1-3H3/t11-,13+,14+,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145537
PNG
(CHEMBL3764120)
Show SMILES COC1(CC[C@@]2(C=C1)[C@@H](CO)CC=C2C(C)C)OC |r,c:6,13|
Show InChI InChI=1S/C16H26O3/c1-12(2)14-6-5-13(11-17)15(14)7-9-16(18-3,19-4)10-8-15/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3/t13-,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145579
PNG
(CHEMBL3765092)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CCC(C)=CC1 |r,c:14,t:3|
Show InChI InChI=1S/C15H24O/c1-11(2)14-5-4-13(10-16)15(14)8-6-12(3)7-9-15/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145434
PNG
(CHEMBL3763513)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3o2)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H23NO4S/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145447
PNG
(CHEMBL3764965)
Show SMILES CCCCCCSc1nnc(SC[C@H]2CC=C(C(C)C)[C@@]22CCC(=O)C=C2)s1 |r,c:26,t:15|
Show InChI InChI=1S/C22H32N2OS3/c1-4-5-6-7-14-26-20-23-24-21(28-20)27-15-17-8-9-19(16(2)3)22(17)12-10-18(25)11-13-22/h9-10,12,16-17H,4-8,11,13-15H2,1-3H3/t17-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145433
PNG
(CHEMBL3764356)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]11CCC(=O)C=C1 |r,c:28,t:3|
Show InChI InChI=1S/C21H23NO3S2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145436
PNG
(CHEMBL3763512)
Show SMILES CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:35,t:24|
Show InChI InChI=1S/C25H28N4O3S/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)33(31,32)15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145447
PNG
(CHEMBL3764965)
Show SMILES CCCCCCSc1nnc(SC[C@H]2CC=C(C(C)C)[C@@]22CCC(=O)C=C2)s1 |r,c:26,t:15|
Show InChI InChI=1S/C22H32N2OS3/c1-4-5-6-7-14-26-20-23-24-21(28-20)27-15-17-8-9-19(16(2)3)22(17)12-10-18(25)11-13-22/h9-10,12,16-17H,4-8,11,13-15H2,1-3H3/t17-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50145430
PNG
(CHEMBL3765656)
Show SMILES CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3C2=O)[C@]11CCC(=O)C=C1 |r,c:27,t:3|
Show InChI InChI=1S/C22H23NO3/c1-14(2)19-8-7-15(22(19)11-9-16(24)10-12-22)13-23-20(25)17-5-3-4-6-18(17)21(23)26/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145462
PNG
(CHEMBL3764859)
Show SMILES CC1=CC[C@]2([C@H](Cc3ccccc23)C(O)=O)[C@H](O)[C@@H]1O |r,t:1|
Show InChI InChI=1S/C16H18O4/c1-9-6-7-16(14(18)13(9)17)11-5-3-2-4-10(11)8-12(16)15(19)20/h2-6,12-14,17-18H,7-8H2,1H3,(H,19,20)/t12-,13-,14-,16+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145499
PNG
(CHEMBL3763959)
Show SMILES [H][C@@]12O[C@]1([H])[C@@](C)(O)CC[C@]21[C@@H](CO)CC=C1C(C)C |r,c:17|
Show InChI InChI=1S/C15H24O3/c1-9(2)11-5-4-10(8-16)15(11)7-6-14(3,17)12-13(15)18-12/h5,9-10,12-13,16-17H,4,6-8H2,1-3H3/t10-,12+,13-,14+,15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145573
PNG
(CHEMBL3763928)
Show SMILES CCOC[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:17,t:6|
Show InChI InChI=1S/C16H24O2/c1-4-18-11-13-5-6-15(12(2)3)16(13)9-7-14(17)8-10-16/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3/t13-,16+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145574
PNG
(CHEMBL3763867)
Show SMILES CC(C)(C)[Si](C)(C)OCCC1=CC[C@H](CO)[C@]11CCC(=O)C=C1 |r,c:22,t:10|
Show InChI InChI=1S/C19H32O3Si/c1-18(2,3)23(4,5)22-13-10-15-6-7-16(14-20)19(15)11-8-17(21)9-12-19/h6,8,11,16,20H,7,9-10,12-14H2,1-5H3/t16-,19-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50145450
PNG
(CHEMBL3764111)
Show SMILES CC(C)C1=CC[C@H](CSc2ccc3ccccc3c2)[C@]11CCC(=O)C=C1 |r,c:27,t:3|
Show InChI InChI=1S/C24H26OS/c1-17(2)23-10-8-20(24(23)13-11-21(25)12-14-24)16-26-22-9-7-18-5-3-4-6-19(18)15-22/h3-7,9-11,13,15,17,20H,8,12,14,16H2,1-2H3/t20-,24+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis

Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%