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30 similar compounds to monomer 50260704

Compile data set for download or QSAR
Wt: 399.9
BDBM50260822
Wt: 417.9
BDBM50260823
Wt: 413.9
BDBM50260824
Wt: 379.9
BDBM50260825
Wt: 434.3
BDBM50260880
Wt: 391.8
BDBM50260745
Wt: 435.3
BDBM50260908
Wt: 435.3
BDBM50260910
Wt: 358.2
BDBM50260705
Wt: 341.8
BDBM50260706
Wt: 341.8
BDBM50260707
Wt: 341.8
BDBM50260708
Wt: 449.7
BDBM50260747
Wt: 337.8
BDBM50260748
Wt: 435.3
BDBM50260936
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 64 hits for monomerid = 50260822,50260823,50260824,50260825,50260880,50260745,50260908,50260910,50260705,50260706,50260707,50260708,50260747,50260748,50260936   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/an/an/a 3.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PXR


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50260910
PNG
(4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3
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n/an/an/an/a 7.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PXR


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260936
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(19-11-6-16(15-20(19)26)21-5-2-3-14-27-21)28-29-23(30)24(12-4-13-24)17-7-9-18(25)10-8-17/h2-3,5-11,14-15H,4,12-13H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260910
PNG
(4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260880
PNG
(3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C25H21Cl2N3/c1-30-23(21-13-8-18(16-22(21)27)17-6-3-2-4-7-17)28-29-24(30)25(14-5-15-25)19-9-11-20(26)12-10-19/h2-4,6-13,16H,5,14-15H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260825
PNG
(3-(4-tert-butylphenyl)-5-(1-(4-chlorophenyl)cyclob...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26ClN3/c1-22(2,3)17-8-6-16(7-9-17)20-25-26-21(27(20)4)23(14-5-15-23)18-10-12-19(24)13-11-18/h6-13H,5,14-15H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260824
PNG
(3-(4-benzylphenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C26H24ClN3/c1-30-24(21-10-8-20(9-11-21)18-19-6-3-2-4-7-19)28-29-25(30)26(16-5-17-26)22-12-14-23(27)15-13-22/h2-4,6-15H,5,16-18H2,1H3
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260823
PNG
(3-[1-(4-Chloro-phenyl)-cyclobutyl]-5-(4'-fluoro-bi...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21ClFN3/c1-30-23(19-5-3-17(4-6-19)18-7-13-22(27)14-8-18)28-29-24(30)25(15-2-16-25)20-9-11-21(26)12-10-20/h3-14H,2,15-16H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260822
PNG
(3-Biphenyl-3-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-5-9-19(17-20)18-7-3-2-4-8-18)27-28-24(29)25(15-6-16-25)21-11-13-22(26)14-12-21/h2-5,7-14,17H,6,15-16H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260748
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-o-toly...)
Show SMILES Cc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3/c1-14-6-3-4-7-17(14)18-22-23-19(24(18)2)20(12-5-13-20)15-8-10-16(21)11-9-15/h3-4,6-11H,5,12-13H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260747
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-iodophenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(I)cc1
Show InChI InChI=1S/C19H17ClIN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260745
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(tr...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3/c1-27-17(13-3-5-15(6-4-13)20(22,23)24)25-26-18(27)19(11-2-12-19)14-7-9-16(21)10-8-14/h3-10H,2,11-12H2,1H3
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n/an/a 9.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260708
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(3-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(F)c1
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260707
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1F
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(15-5-2-3-6-16(15)21)22-23-18(24)19(11-4-12-19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260706
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260705
PNG
(3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260936
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(19-11-6-16(15-20(19)26)21-5-2-3-14-27-21)28-29-23(30)24(12-4-13-24)17-7-9-18(25)10-8-17/h2-3,5-11,14-15H,4,12-13H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260910
PNG
(4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260880
PNG
(3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C25H21Cl2N3/c1-30-23(21-13-8-18(16-22(21)27)17-6-3-2-4-7-17)28-29-24(30)25(14-5-15-25)19-9-11-20(26)12-10-19/h2-4,6-13,16H,5,14-15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260825
PNG
(3-(4-tert-butylphenyl)-5-(1-(4-chlorophenyl)cyclob...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26ClN3/c1-22(2,3)17-8-6-16(7-9-17)20-25-26-21(27(20)4)23(14-5-15-23)18-10-12-19(24)13-11-18/h6-13H,5,14-15H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260824
PNG
(3-(4-benzylphenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C26H24ClN3/c1-30-24(21-10-8-20(9-11-21)18-19-6-3-2-4-7-19)28-29-25(30)26(16-5-17-26)22-12-14-23(27)15-13-22/h2-4,6-15H,5,16-18H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260823
PNG
(3-[1-(4-Chloro-phenyl)-cyclobutyl]-5-(4'-fluoro-bi...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21ClFN3/c1-30-23(19-5-3-17(4-6-19)18-7-13-22(27)14-8-18)28-29-24(30)25(15-2-16-25)20-9-11-21(26)12-10-20/h3-14H,2,15-16H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260822
PNG
(3-Biphenyl-3-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-5-9-19(17-20)18-7-3-2-4-8-18)27-28-24(29)25(15-6-16-25)21-11-13-22(26)14-12-21/h2-5,7-14,17H,6,15-16H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260748
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-o-toly...)
Show SMILES Cc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3/c1-14-6-3-4-7-17(14)18-22-23-19(24(18)2)20(12-5-13-20)15-8-10-16(21)11-9-15/h3-4,6-11H,5,12-13H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260747
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-iodophenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(I)cc1
Show InChI InChI=1S/C19H17ClIN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260745
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(tr...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3/c1-27-17(13-3-5-15(6-4-13)20(22,23)24)25-26-18(27)19(11-2-12-19)14-7-9-16(21)10-8-14/h3-10H,2,11-12H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260708
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(3-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(F)c1
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
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n/an/a 163n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260707
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1F
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(15-5-2-3-6-16(15)21)22-23-18(24)19(11-4-12-19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260706
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3
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n/an/a 101n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260705
PNG
(3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260825
PNG
(3-(4-tert-butylphenyl)-5-(1-(4-chlorophenyl)cyclob...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26ClN3/c1-22(2,3)17-8-6-16(7-9-17)20-25-26-21(27(20)4)23(14-5-15-23)18-10-12-19(24)13-11-18/h6-13H,5,14-15H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260824
PNG
(3-(4-benzylphenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C26H24ClN3/c1-30-24(21-10-8-20(9-11-21)18-19-6-3-2-4-7-19)28-29-25(30)26(16-5-17-26)22-12-14-23(27)15-13-22/h2-4,6-15H,5,16-18H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260823
PNG
(3-[1-(4-Chloro-phenyl)-cyclobutyl]-5-(4'-fluoro-bi...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21ClFN3/c1-30-23(19-5-3-17(4-6-19)18-7-13-22(27)14-8-18)28-29-24(30)25(15-2-16-25)20-9-11-21(26)12-10-20/h3-14H,2,15-16H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260822
PNG
(3-Biphenyl-3-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-5-9-19(17-20)18-7-3-2-4-8-18)27-28-24(29)25(15-6-16-25)21-11-13-22(26)14-12-21/h2-5,7-14,17H,6,15-16H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260748
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-o-toly...)
Show SMILES Cc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3/c1-14-6-3-4-7-17(14)18-22-23-19(24(18)2)20(12-5-13-20)15-8-10-16(21)11-9-15/h3-4,6-11H,5,12-13H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260747
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-iodophenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(I)cc1
Show InChI InChI=1S/C19H17ClIN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260745
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(tr...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3/c1-27-17(13-3-5-15(6-4-13)20(22,23)24)25-26-18(27)19(11-2-12-19)14-7-9-16(21)10-8-14/h3-10H,2,11-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260708
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(3-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(F)c1
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260707
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1F
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(15-5-2-3-6-16(15)21)22-23-18(24)19(11-4-12-19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260706
PNG
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-fluorophenyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50260705
PNG
(3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50260880
PNG
(3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C25H21Cl2N3/c1-30-23(21-13-8-18(16-22(21)27)17-6-3-2-4-7-17)28-29-24(30)25(14-5-15-25)19-9-11-20(26)12-10-19/h2-4,6-13,16H,5,14-15H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PXR


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50260936
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(19-11-6-16(15-20(19)26)21-5-2-3-14-27-21)28-29-23(30)24(12-4-13-24)17-7-9-18(25)10-8-17/h2-3,5-11,14-15H,4,12-13H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50260910
PNG
(4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50260825
PNG
(3-(4-tert-butylphenyl)-5-(1-(4-chlorophenyl)cyclob...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26ClN3/c1-22(2,3)17-8-6-16(7-9-17)20-25-26-21(27(20)4)23(14-5-15-23)18-10-12-19(24)13-11-18/h6-13H,5,14-15H2,1-4H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50260824
PNG
(3-(4-benzylphenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C26H24ClN3/c1-30-24(21-10-8-20(9-11-21)18-19-6-3-2-4-7-19)28-29-25(30)26(16-5-17-26)22-12-14-23(27)15-13-22/h2-4,6-15H,5,16-18H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD2


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
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