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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'firth' and Initial = 'a'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417605
PNG
(CHEMBL1645393)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)24(21,22)19-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417616
PNG
(CHEMBL1645403)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H18F3N5O3S/c1-12(27-32(29,30)17-11-28(2)26-18(17)20(21,22)23)14-4-6-15(7-5-14)16-8-13(9-24)10-25-19(16)31-3/h4-8,10-12,27H,1-3H3/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417607
PNG
(CHEMBL1645401)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N3O3S/c1-12(26-31(28,29)18-11-27(2)25-19(18)20(22,23)24)13-4-6-14(7-5-13)16-10-15(21)8-9-17(16)30-3/h4-12,26H,1-3H3/t12-/m1/s1
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417608
PNG
(CHEMBL1645399)
Show SMILES C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(cc1)-c1cccnc1OC(F)F |r|
Show InChI InChI=1S/C19H19F2N3O4S/c1-11(24-29(25,26)17-12(2)23-28-13(17)3)14-6-8-15(9-7-14)16-5-4-10-22-18(16)27-19(20)21/h4-11,19,24H,1-3H3/t11-/m1/s1
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n/an/an/an/a 631n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417609
PNG
(CHEMBL1645397)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@H](C)NS(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C20H21FN2O4S/c1-12(23-28(24,25)20-13(2)22-27-14(20)3)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)26-4/h5-12,23H,1-4H3/t12-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417610
PNG
(CHEMBL1645394)
Show SMILES COc1ccccc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C19H20N2O4S/c1-13-19(14(2)25-21-13)26(22,23)20-12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)24-3/h4-11,20H,12H2,1-3H3
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417611
PNG
(CHEMBL1641638)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C20H21FN2O4S/c1-12(23-28(24,25)20-13(2)22-27-14(20)3)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)26-4/h5-12,23H,1-4H3/t12-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417612
PNG
(CHEMBL1645395)
Show SMILES COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C19H19FN2O4S/c1-12-19(13(2)26-22-12)27(23,24)21-11-14-4-6-15(7-5-14)17-10-16(20)8-9-18(17)25-3/h4-10,21H,11H2,1-3H3
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n/an/an/an/a 126n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417613
PNG
(CHEMBL1645400)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C#N |r|
Show InChI InChI=1S/C20H20N4O4S/c1-12(24-29(25,26)19-13(2)23-28-14(19)3)16-5-7-17(8-6-16)18-9-15(10-21)11-22-20(18)27-4/h5-9,11-12,24H,1-4H3/t12-/m1/s1
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n/an/an/an/a 79.4n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417614
PNG
(CHEMBL1645396)
Show SMILES COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C20H16Cl2FNO3S/c1-27-19-9-7-16(23)11-17(19)14-4-2-13(3-5-14)12-24-28(25,26)20-10-15(21)6-8-18(20)22/h2-11,24H,12H2,1H3
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n/an/an/an/a 50.1n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417610
PNG
(CHEMBL1645394)
Show SMILES COc1ccccc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C19H20N2O4S/c1-13-19(14(2)25-21-13)26(22,23)20-12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)24-3/h4-11,20H,12H2,1-3H3
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n/an/an/an/a 31.6n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417609
PNG
(CHEMBL1645397)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@H](C)NS(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C20H21FN2O4S/c1-12(23-28(24,25)20-13(2)22-27-14(20)3)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)26-4/h5-12,23H,1-4H3/t12-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417606
PNG
(CHEMBL1645398)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C19H21N3O4S/c1-12(22-27(23,24)18-13(2)21-26-14(18)3)15-7-9-16(10-8-15)17-6-5-11-20-19(17)25-4/h5-12,22H,1-4H3/t12-/m1/s1
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n/an/an/an/a 25.1n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417615
PNG
(CHEMBL1645402)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N4O3S/c1-12(25-30(27,28)16-11-26(2)24-17(16)19(20,21)22)13-6-8-14(9-7-13)15-5-4-10-23-18(15)29-3/h4-12,25H,1-3H3/t12-/m1/s1
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n/an/an/an/a 12.6n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417616
PNG
(CHEMBL1645403)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H18F3N5O3S/c1-12(27-32(29,30)17-11-28(2)26-18(17)20(21,22)23)14-4-6-15(7-5-14)16-8-13(9-24)10-25-19(16)31-3/h4-8,10-12,27H,1-3H3/t12-/m1/s1
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n/an/an/an/a 12.6n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417608
PNG
(CHEMBL1645399)
Show SMILES C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(cc1)-c1cccnc1OC(F)F |r|
Show InChI InChI=1S/C19H19F2N3O4S/c1-11(24-29(25,26)17-12(2)23-28-13(17)3)14-6-8-15(9-7-14)16-5-4-10-22-18(16)27-19(20)21/h4-11,19,24H,1-3H3/t11-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417617
PNG
(CHEMBL1645392)
Show SMILES Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C17H19N3O4S/c1-10-16(12(3)23-19-10)15-7-5-14(6-8-15)9-18-25(21,22)17-11(2)20-24-13(17)4/h5-8,18H,9H2,1-4H3
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n/an/an/an/a 7.94n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417613
PNG
(CHEMBL1645400)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C#N |r|
Show InChI InChI=1S/C20H20N4O4S/c1-12(24-29(25,26)19-13(2)23-28-14(19)3)16-5-7-17(8-6-16)18-9-15(10-21)11-22-20(18)27-4/h5-9,11-12,24H,1-4H3/t12-/m1/s1
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n/an/an/an/a 6.31n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417611
PNG
(CHEMBL1641638)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C20H21FN2O4S/c1-12(23-28(24,25)20-13(2)22-27-14(20)3)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)26-4/h5-12,23H,1-4H3/t12-/m1/s1
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n/an/an/an/a 5.01n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417617
PNG
(CHEMBL1645392)
Show SMILES Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C17H19N3O4S/c1-10-16(12(3)23-19-10)15-7-5-14(6-8-15)9-18-25(21,22)17-11(2)20-24-13(17)4/h5-8,18H,9H2,1-4H3
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n/an/an/an/a 3.98n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417607
PNG
(CHEMBL1645401)
Show SMILES COc1ccc(F)cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N3O3S/c1-12(26-31(28,29)18-11-27(2)25-19(18)20(22,23)24)13-4-6-14(7-5-13)16-10-15(21)8-9-17(16)30-3/h4-12,26H,1-3H3/t12-/m1/s1
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n/an/an/an/a 3.98n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417614
PNG
(CHEMBL1645396)
Show SMILES COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C20H16Cl2FNO3S/c1-27-19-9-7-16(23)11-17(19)14-4-2-13(3-5-14)12-24-28(25,26)20-10-15(21)6-8-18(20)22/h2-11,24H,12H2,1H3
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417605
PNG
(CHEMBL1645393)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)24(21,22)19-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417615
PNG
(CHEMBL1645402)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N4O3S/c1-12(25-30(27,28)16-11-26(2)24-17(16)19(20,21)22)13-6-8-14(9-7-13)15-5-4-10-23-18(15)29-3/h4-12,25H,1-3H3/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417616
PNG
(CHEMBL1645403)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H18F3N5O3S/c1-12(27-32(29,30)17-11-28(2)26-18(17)20(21,22)23)14-4-6-15(7-5-14)16-8-13(9-24)10-25-19(16)31-3/h4-8,10-12,27H,1-3H3/t12-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Antagonist activity at human GR DNA binding domain transfected in CHO cells co-transfected with MMTV-luciferase gene assessed as inhibition of cortis...


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50417616
PNG
(CHEMBL1645403)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H18F3N5O3S/c1-12(27-32(29,30)17-11-28(2)26-18(17)20(21,22)23)14-4-6-15(7-5-14)16-8-13(9-24)10-25-19(16)31-3/h4-8,10-12,27H,1-3H3/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Antagonist activity at human MR ligand binding domain transfected in CHO cells co-transfected with MMTV-luciferase gene assessed as inhibition of cor...


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417612
PNG
(CHEMBL1645395)
Show SMILES COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C19H19FN2O4S/c1-12-19(13(2)26-22-12)27(23,24)21-11-14-4-6-15(7-5-14)17-10-16(20)8-9-18(17)25-3/h4-10,21H,11H2,1-3H3
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n/an/an/an/a 12.6n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50417606
PNG
(CHEMBL1645398)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C19H21N3O4S/c1-12(22-27(23,24)18-13(2)21-26-14(18)3)15-7-9-16(10-8-15)17-6-5-11-20-19(17)25-4/h5-12,22H,1-4H3/t12-/m1/s1
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay


Bioorg Med Chem Lett 21: 137-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.054
BindingDB Entry DOI: 10.7270/Q2FN17F9
More data for this
Ligand-Target Pair