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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'mcconnell' and Initial = 'km'   
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


(Mus musculus (mouse))
BDBM50207760
PNG
(CHEMBL391374 | [4-(2-hydroxy-ethyl)-piperazin-1-yl...)
Show SMILES Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CCO)CC1)C2 |w:9.9,11.11,TLB:4:7:14:10.11.12,4:7:14.9.10:12,27:7:14:10.11.12,THB:8:7:14.9.10:12,27:11:14:15.8.7,TEB:8:9:12:15.7.27,10:11:15:14.9.8|
Show InChI InChI=1S/C24H34N2O2/c1-18-2-4-21(5-3-18)23-13-19-12-20(14-23)16-24(15-19,17-23)22(28)26-8-6-25(7-9-26)10-11-27/h2-5,19-20,27H,6-17H2,1H3
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n/an/a 43n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207768
PNG
((4-methyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-y...)
Show SMILES CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1 |w:11.11,13.13,TLB:17:16:10.11.12:14,THB:19:16:10:12.13.14,19:16:10.11.12:14,17:11:14:18.16.15,15:16:10:12.13.14,15:13:10:18.17.16,TEB:12:13:18:10.11.17|
Show InChI InChI=1S/C23H32N2O/c1-17-3-5-20(6-4-17)22-12-18-11-19(13-22)15-23(14-18,16-22)21(26)25-9-7-24(2)8-10-25/h3-6,18-19H,7-16H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50207768
PNG
((4-methyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-y...)
Show SMILES CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1 |w:11.11,13.13,TLB:17:16:10.11.12:14,THB:19:16:10:12.13.14,19:16:10.11.12:14,17:11:14:18.16.15,15:16:10:12.13.14,15:13:10:18.17.16,TEB:12:13:18:10.11.17|
Show InChI InChI=1S/C23H32N2O/c1-17-3-5-20(6-4-17)22-12-18-11-19(13-22)15-23(14-18,16-22)21(26)25-9-7-24(2)8-10-25/h3-6,18-19H,7-16H2,1-2H3
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n/an/a 81n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319324
PNG
(1-(3,4-dimethoxyphenyl)-2-(1-m-tolyl-1H-tetrazol-5...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1cccc(C)c1
Show InChI InChI=1S/C19H19N3O3S/c1-13-5-4-6-15(9-13)22-19(11-20-21-22)26-12-16(23)14-7-8-17(24-2)18(10-14)25-3/h4-11H,12H2,1-3H3
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n/an/a 93n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319333
PNG
(3-(1-(3-chlorophenyl)-1H-tetrazol-5-yl)-1-phenylpr...)
Show SMILES Clc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-7-4-8-15(11-14)21-16(12-19-20-21)9-10-17(22)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2
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n/an/a 114n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319316
PNG
(1-(3,4-dimethoxyphenyl)-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccccc1
Show InChI InChI=1S/C18H17N3O3S/c1-23-16-9-8-13(10-17(16)24-2)15(22)12-25-18-11-19-20-21(18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 116n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50207772
PNG
(CHEMBL245590 | adamantan-1-yl-piperidin-1-yl-metha...)
Show SMILES O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:9.10.15:16,THB:11:10:16:17.12.13,13:12:9:15.14.16,13:14:9:17.11.12|
Show InChI InChI=1S/C16H25NO/c18-15(17-4-2-1-3-5-17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
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n/an/a 134n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319331
PNG
(2-(1-cyclohexyl-1H-tetrazol-5-ylthio)-1-(3,4-dimet...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1C1CCCCC1
Show InChI InChI=1S/C18H23N3O3S/c1-23-16-9-8-13(10-17(16)24-2)15(22)12-25-18-11-19-20-21(18)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3
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n/an/a 183n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207772
PNG
(CHEMBL245590 | adamantan-1-yl-piperidin-1-yl-metha...)
Show SMILES O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:9.10.15:16,THB:11:10:16:17.12.13,13:12:9:15.14.16,13:14:9:17.11.12|
Show InChI InChI=1S/C16H25NO/c18-15(17-4-2-1-3-5-17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
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n/an/a 193n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207799
PNG
(CHEMBL245393 | adamantan-2-yl-piperidin-1-yl-metha...)
Show SMILES O=C(C1C2CC3CC(C2)CC1C3)N1CCCCC1 |TLB:1:2:4:8.6.7,THB:6:5:2:8.7.9,6:7:4.5.11:2,9:7:4:11.10.2,9:10:4:8.6.7,(-2.71,-12.37,;-2.71,-10.82,;-1.37,-10.06,;.07,-10.4,;1.03,-11.87,;.98,-10.31,;1.86,-9.08,;.86,-7.79,;.87,-9.23,;-.62,-7.41,;-1.52,-8.63,;-.57,-9.94,;-4.04,-10.05,;-5.37,-10.81,;-6.7,-10.05,;-6.7,-8.51,;-5.37,-7.73,;-4.04,-8.51,)|
Show InChI InChI=1S/C16H25NO/c18-16(17-4-2-1-3-5-17)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2
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n/an/a 200n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319360
PNG
(1-(3-methoxyphenyl)-3-(1-phenyl-1H-tetrazol-5-yl)p...)
Show SMILES COc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-23-17-9-5-6-14(12-17)18(22)11-10-16-13-19-20-21(16)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3
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n/an/a 215n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50207787
PNG
(CHEMBL428931 | adamantan-1-yl-(octahydro-isoquinol...)
Show SMILES O=C(N1CCC2CCCCC2C1)C12CC3CC(CC(C3)C1)C2 |w:5.4,10.11,TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C20H31NO/c22-19(21-6-5-17-3-1-2-4-18(17)13-21)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-18H,1-13H2
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n/an/a 230n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319310
PNG
(3,3-dimethyl-1-(1-phenyl-1H-tetrazol-5-ylthio)buta...)
Show SMILES CC(C)(C)C(=O)CSc1cnnn1-c1ccccc1
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)12(18)10-19-13-9-15-16-17(13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
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n/an/a 252n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319311
PNG
(1-phenyl-2-(1-phenyl-1H-tetrazol-5-ylthio)ethanone...)
Show SMILES O=C(CSc1cnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c20-15(13-7-3-1-4-8-13)12-21-16-11-17-18-19(16)14-9-5-2-6-10-14/h1-11H,12H2
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n/an/a 257n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319317
PNG
(1-phenyl-3-(1-phenyl-1H-tetrazol-5-ylthio)propan-2...)
Show SMILES O=C(CSc1cnnn1-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H15N3OS/c21-16(11-14-7-3-1-4-8-14)13-22-17-12-18-19-20(17)15-9-5-2-6-10-15/h1-10,12H,11,13H2
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n/an/a 289n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50207776
PNG
(CHEMBL396928 | adamantan-1-yl-(4-ethyl-piperazin-1...)
Show SMILES CCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C17H28N2O/c1-2-18-3-5-19(6-4-18)16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319343
PNG
(3-(1-(3-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylp...)
Show SMILES COc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-23-17-9-5-8-15(12-17)21-16(13-19-20-21)10-11-18(22)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3
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n/an/a 304n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319358
PNG
(1-(3-chlorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)pr...)
Show SMILES Clc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2
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n/an/a 310n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319341
PNG
(1-phenyl-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one...)
Show SMILES O=C(CCc1cnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-17(14-7-3-1-4-8-14)12-11-16-13-18-19-20(16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
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n/an/a 359n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319344
PNG
(3-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylp...)
Show SMILES COc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-23-17-10-7-15(8-11-17)21-16(13-19-20-21)9-12-18(22)14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3
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n/an/a 426n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50207795
PNG
(CHEMBL246952 | adamantan-1-yl-(3,4-dihydro-2H-quin...)
Show SMILES O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
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n/an/a 481n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319318
PNG
(1-(furan-2-yl)-2-(1-phenyl-1H-tetrazol-5-ylthio)et...)
Show SMILES O=C(CSc1cnnn1-c1ccccc1)c1ccco1
Show InChI InChI=1S/C14H11N3O2S/c18-12(13-7-4-8-19-13)10-20-14-9-15-16-17(14)11-5-2-1-3-6-11/h1-9H,10H2
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n/an/a 485n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319365
PNG
(3-(5-(4-methoxyphenyl)-1H-tetrazol-1-yl)-1-phenylp...)
Show SMILES COc1ccc(cc1)-c1nnnn1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-15-9-7-14(8-10-15)17-18-19-20-21(17)12-11-16(22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
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n/an/a 493n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50207767
PNG
(CHEMBL245509 | adamantan-1-yl-[4-(2-hydroxy-ethyl)...)
Show SMILES OCCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C17H28N2O2/c20-6-5-18-1-3-19(4-2-18)16(21)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15,20H,1-12H2
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n/an/a 494n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207760
PNG
(CHEMBL391374 | [4-(2-hydroxy-ethyl)-piperazin-1-yl...)
Show SMILES Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CCO)CC1)C2 |w:9.9,11.11,TLB:4:7:14:10.11.12,4:7:14.9.10:12,27:7:14:10.11.12,THB:8:7:14.9.10:12,27:11:14:15.8.7,TEB:8:9:12:15.7.27,10:11:15:14.9.8|
Show InChI InChI=1S/C24H34N2O2/c1-18-2-4-21(5-3-18)23-13-19-12-20(14-23)16-24(15-19,17-23)22(28)26-8-6-25(7-9-26)10-11-27/h2-5,19-20,27H,6-17H2,1H3
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n/an/a 498n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207788
PNG
((3R,5R)-adamantan-1-yl(pyrrolidin-1-yl)methanone |...)
Show SMILES O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
Show InChI InChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
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n/an/a 498n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319362
PNG
(1-cyclohexyl-3-(1-phenyl-1H-tetrazol-5-yl)propan-1...)
Show SMILES O=C(CCc1nnnn1-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-15(13-7-3-1-4-8-13)11-12-16-17-18-19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
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n/an/a 506n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319359
PNG
(1-(4-dichlorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)...)
Show SMILES Clc1ccc(cc1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-8-6-13(7-9-14)17(22)11-10-16-12-19-20-21(16)15-4-2-1-3-5-15/h1-9,12H,10-11H2
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n/an/a 539n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319332
PNG
(3-(1-(4-chlorophenyl)-1H-tetrazol-5-yl)-1-phenylpr...)
Show SMILES Clc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-8-15(9-7-14)21-16(12-19-20-21)10-11-17(22)13-4-2-1-3-5-13/h1-9,12H,10-11H2
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n/an/a 575n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319334
PNG
(1-phenyl-3-(1-p-tolyl-1H-tetrazol-5-yl)propan-1-on...)
Show SMILES Cc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c1-14-7-9-16(10-8-14)21-17(13-19-20-21)11-12-18(22)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3
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n/an/a 588n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319356
PNG
(1-(3-fluorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)pr...)
Show SMILES Fc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C17H14FN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2
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n/an/a 597n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207770
PNG
((4-ethyl-piperazin-1-yl)-[3-(4-methoxy-phenyl)-ada...)
Show SMILES CCN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(OC)cc1 |w:12.20,14.14,TLB:18:17:11.12.13:15,THB:20:17:11:13.14.15,20:17:11.12.13:15,16:17:11:13.14.15,16:14:11:19.18.17,TEB:18:12:15:19.17.16,13:14:19:11.12.18|
Show InChI InChI=1S/C24H34N2O2/c1-3-25-8-10-26(11-9-25)22(27)24-15-18-12-19(16-24)14-23(13-18,17-24)20-4-6-21(28-2)7-5-20/h4-7,18-19H,3,8-17H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319336
PNG
(1-phenyl-3-(1-o-tolyl-1H-tetrazol-5-yl)propan-1-on...)
Show SMILES Cc1ccccc1-n1nnnc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13-7-5-6-10-15(13)21-17(18-19-20-21)12-11-16(22)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
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n/an/a 683n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319345
PNG
(4-(5-(3-oxo-3-phenylpropyl)-1H-tetrazol-1-yl)benzo...)
Show SMILES O=C(CCc1cnnn1-c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C18H14N4O/c19-12-14-6-8-16(9-7-14)22-17(13-20-21-22)10-11-18(23)15-4-2-1-3-5-15/h1-9,13H,10-11H2
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n/an/a 686n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207800
PNG
(CHEMBL396366 | adamantan-1-yl-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:12:13:10.11.16:17,THB:12:11:17:18.13.14,14:13:10:16.15.17,14:15:10:18.12.13|
Show InChI InChI=1S/C16H26N2O/c1-17-2-4-18(5-3-17)15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319366
PNG
(3-(5-(benzo[d][1,3]dioxol-5-yl)-1H-tetrazol-1-yl)-...)
Show SMILES O=C(CCn1nnnc1-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c22-14(12-4-2-1-3-5-12)8-9-21-17(18-19-20-21)13-6-7-15-16(10-13)24-11-23-15/h1-7,10H,8-9,11H2
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n/an/a 722n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319364
PNG
(3-(5-(2-methoxyphenyl)-1H-tetrazol-1-yl)-1-phenylp...)
Show SMILES COc1ccccc1-c1nnnn1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-16-10-6-5-9-14(16)17-18-19-20-21(17)12-11-15(22)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
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n/an/a 751n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207776
PNG
(CHEMBL396928 | adamantan-1-yl-(4-ethyl-piperazin-1...)
Show SMILES CCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
Show InChI InChI=1S/C17H28N2O/c1-2-18-3-5-19(6-4-18)16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3
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n/an/a 756n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319354
PNG
(1-phenyl-4-(1-phenyl-1H-tetrazol-5-yl)butan-2-one ...)
Show SMILES O=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H16N4O/c22-16(13-14-7-3-1-4-8-14)11-12-17-18-19-20-21(17)15-9-5-2-6-10-15/h1-10H,11-13H2
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n/an/a 820n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319363
PNG
(1-phenyl-3-(5-phenyl-1H-tetrazol-1-yl)propan-1-one...)
Show SMILES O=C(CCn1nnnc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-10H,11-12H2
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n/an/a 843n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207787
PNG
(CHEMBL428931 | adamantan-1-yl-(octahydro-isoquinol...)
Show SMILES O=C(N1CCC2CCCCC2C1)C12CC3CC(CC(C3)C1)C2 |w:5.4,10.11,TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C20H31NO/c22-19(21-6-5-17-3-1-2-4-18(17)13-21)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-18H,1-13H2
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n/an/a 846n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319329
PNG
(2-(1-benzyl-1H-tetrazol-5-ylthio)-1-(3,4-dimethoxy...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1Cc1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c1-24-17-9-8-15(10-18(17)25-2)16(23)13-26-19-11-20-21-22(19)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319351
PNG
(3-(1-cyclohexyl-1H-tetrazol-5-yl)-1-phenylpropan-1...)
Show SMILES O=C(CCc1cnnn1C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H21N3O/c21-17(14-7-3-1-4-8-14)12-11-16-13-18-19-20(16)15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2
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n/an/a 915n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319339
PNG
(3,3-dimethyl-1-(1-phenyl-1H-tetrazol-5-ylsulfonyl)...)
Show SMILES CC(C)(C)C(=O)CS(=O)(=O)c1cnnn1-c1ccccc1
Show InChI InChI=1S/C14H17N3O3S/c1-14(2,3)12(18)10-21(19,20)13-9-15-16-17(13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
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n/an/a 943n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319335
PNG
(1-phenyl-3-(1-m-tolyl-1H-tetrazol-5-yl)propan-1-on...)
Show SMILES Cc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c1-14-6-5-9-16(12-14)21-17(13-19-20-21)10-11-18(22)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3
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n/an/a 948n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319321
PNG
(1-(3,4-dimethoxyphenyl)-2-(1-isopropyl-1H-tetrazol...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1C(C)C
Show InChI InChI=1S/C15H19N3O3S/c1-10(2)18-15(8-16-17-18)22-9-12(19)11-5-6-13(20-3)14(7-11)21-4/h5-8,10H,9H2,1-4H3
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n/an/a 954n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319340
PNG
(1-phenyl-2-(1-phenyl-1H-tetrazol-5-yloxy)ethanone ...)
Show SMILES O=C(COc1cnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c20-15(13-7-3-1-4-8-13)12-21-16-11-17-18-19(16)14-9-5-2-6-10-14/h1-11H,12H2
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n/an/a 971n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319355
PNG
(1-phenyl-5-(1-phenyl-1H-tetrazol-5-yl)pentan-3-one...)
Show SMILES O=C(CCc1nnnn1-c1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C18H18N4O/c23-17(12-11-15-7-3-1-4-8-15)13-14-18-19-20-21-22(18)16-9-5-2-6-10-16/h1-10H,11-14H2
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n/an/a 987n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319350
PNG
(3-(1-cyclopentyl-1H-tetrazol-5-yl)-1-phenylpropan-...)
Show SMILES O=C(CCc1cnnn1C1CCCC1)c1ccccc1
Show InChI InChI=1S/C16H19N3O/c20-16(13-6-2-1-3-7-13)11-10-15-12-17-18-19(15)14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2
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n/an/a 987n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319326
PNG
(1-(3,4-dimethoxyphenyl)-2-(1-(2,4-dimethylphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccc(C)cc1C
Show InChI InChI=1S/C20H21N3O3S/c1-13-5-7-16(14(2)9-13)23-20(11-21-22-23)27-12-17(24)15-6-8-18(25-3)19(10-15)26-4/h5-11H,12H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
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