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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'dimichelle' and Initial = 'l'   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510666
PNG
(CHEMBL4528746)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510659
PNG
(CHEMBL4473051)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C20H21F4N3O3S/c1-4-19(12(2)28,13-5-7-14(8-6-13)20(22,23)24)27-18-10-15(21)9-17(16(18)11-25-27)26-31(3,29)30/h5-12,26,28H,4H2,1-3H3/t12?,19-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510659
PNG
(CHEMBL4473051)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C20H21F4N3O3S/c1-4-19(12(2)28,13-5-7-14(8-6-13)20(22,23)24)27-18-10-15(21)9-17(16(18)11-25-27)26-31(3,29)30/h5-12,26,28H,4H2,1-3H3/t12?,19-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510660
PNG
(CHEMBL4578762)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C19H20ClFN2O3S/c1-3-19(12-24,13-4-6-14(20)7-5-13)23-9-8-16-17(22-27(2,25)26)10-15(21)11-18(16)23/h4-11,22,24H,3,12H2,1-2H3/t19-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510662
PNG
(CHEMBL4566136)
Show SMILES CCC(CC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C20H23ClN2O2S/c1-4-20(5-2,15-9-11-16(21)12-10-15)23-14-13-17-18(22-26(3,24)25)7-6-8-19(17)23/h6-14,22H,4-5H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510664
PNG
(CHEMBL4578220)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C18H20ClN3O3S/c1-3-18(12-23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(15(17)11-20-22)21-26(2,24)25/h4-11,21,23H,3,12H2,1-2H3/t18-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510660
PNG
(CHEMBL4578762)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C19H20ClFN2O3S/c1-3-19(12-24,13-4-6-14(20)7-5-13)23-9-8-16-17(22-27(2,25)26)10-15(21)11-18(16)23/h4-11,22,24H,3,12H2,1-2H3/t19-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510663
PNG
(CHEMBL4435726)
Show SMILES CCC(CC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C19H22ClN3O2S/c1-4-19(5-2,14-9-11-15(20)12-10-14)23-18-8-6-7-17(16(18)13-21-23)22-26(3,24)25/h6-13,22H,4-5H2,1-3H3
PDB
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n/an/a 114n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510660
PNG
(CHEMBL4578762)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C19H20ClFN2O3S/c1-3-19(12-24,13-4-6-14(20)7-5-13)23-9-8-16-17(22-27(2,25)26)10-15(21)11-18(16)23/h4-11,22,24H,3,12H2,1-2H3/t19-/m0/s1
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n/an/a 116n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510665
PNG
(CHEMBL4439903)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C19H21ClN2O3S/c1-3-19(13-23,14-7-9-15(20)10-8-14)22-12-11-16-17(21-26(2,24)25)5-4-6-18(16)22/h4-12,21,23H,3,13H2,1-2H3/t19-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510667
PNG
(CHEMBL4515343)
Show SMILES CCC(CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(Br)cc12
Show InChI InChI=1S/C19H20BrClN2O3S/c1-3-19(12-24,13-4-6-15(21)7-5-13)23-9-8-16-17(22-27(2,25)26)10-14(20)11-18(16)23/h4-11,22,24H,3,12H2,1-2H3
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n/an/a 202n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510667
PNG
(CHEMBL4515343)
Show SMILES CCC(CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(Br)cc12
Show InChI InChI=1S/C19H20BrClN2O3S/c1-3-19(12-24,13-4-6-15(21)7-5-13)23-9-8-16-17(22-27(2,25)26)10-14(20)11-18(16)23/h4-11,22,24H,3,12H2,1-2H3
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n/an/a 567n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510664
PNG
(CHEMBL4578220)
Show SMILES CC[C@](CO)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C18H20ClN3O3S/c1-3-18(12-23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(15(17)11-20-22)21-26(2,24)25/h4-11,21,23H,3,12H2,1-2H3/t18-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510661
PNG
(CHEMBL4526545)
Show SMILES CCC(CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(cc12)C#N
Show InChI InChI=1S/C20H20ClN3O3S/c1-3-20(13-25,15-4-6-16(21)7-5-15)24-9-8-17-18(23-28(2,26)27)10-14(12-22)11-19(17)24/h4-11,23,25H,3,13H2,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510666
PNG
(CHEMBL4528746)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1
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n/an/a 1.64E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510659
PNG
(CHEMBL4473051)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C20H21F4N3O3S/c1-4-19(12(2)28,13-5-7-14(8-6-13)20(22,23)24)27-18-10-15(21)9-17(16(18)11-25-27)26-31(3,29)30/h5-12,26,28H,4H2,1-3H3/t12?,19-/m0/s1
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n/an/a 4.01E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510659
PNG
(CHEMBL4473051)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cc(F)cc12 |r|
Show InChI InChI=1S/C20H21F4N3O3S/c1-4-19(12(2)28,13-5-7-14(8-6-13)20(22,23)24)27-18-10-15(21)9-17(16(18)11-25-27)26-31(3,29)30/h5-12,26,28H,4H2,1-3H3/t12?,19-/m0/s1
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n/an/a 4.02E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510668
PNG
(CHEMBL4453875)
Show SMILES CCC(CC)(c1nnc2c(NS(C)(=O)=O)cccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4O2S/c1-4-18(5-2,13-8-10-14(19)11-9-13)17-21-20-16-15(22-26(3,24)25)7-6-12-23(16)17/h6-12,22H,4-5H2,1-3H3
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n/an/a 5.94E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510658
PNG
(CHEMBL4583438)
Show SMILES CCC(CC)(c1cnc2c(NS(C)(=O)=O)cccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClN3O2S/c1-4-19(5-2,14-8-10-15(20)11-9-14)17-13-21-18-16(22-26(3,24)25)7-6-12-23(17)18/h6-13,22H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.69E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50510661
PNG
(CHEMBL4526545)
Show SMILES CCC(CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cc(cc12)C#N
Show InChI InChI=1S/C20H20ClN3O3S/c1-3-20(13-25,15-4-6-16(21)7-5-15)24-9-8-17-18(23-28(2,26)27)10-14(12-22)11-19(17)24/h4-11,23,25H,3,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
BindingDB Entry DOI: 10.7270/Q2668HHH
More data for this
Ligand-Target Pair