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Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'hayes' and Initial = 'me'   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM444986
PNG
(US10668167, Compound 3)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO7/c1-31-12-11-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)44-30(43-29)18-3-7-21(8-4-18)42-22-9-5-19(37)6-10-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 2.60n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445033
PNG
(US10668167, Compound 41)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28-,30+,31+,32+,33-,34-,35+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445028
PNG
(US10668167, Compound 36)
Show SMILES C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
Show InChI InChI=1S/C36H39F2NO6/c1-19(21-8-10-23(39)11-9-21)20-4-6-22(7-5-20)32-44-31-16-25-26-15-28(37)27-14-24(41)12-13-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25+,26+,28+,29+,31-,32-,33+,34+,35+,36-/m1/s1
PDB

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n/an/a 3.40n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445027
PNG
(US10668167, Compound 35)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NCc2ccc(N)cc2)nc1 |r,c:14,t:10|
Show InChI InChI=1S/C34H38FN3O6/c1-31-12-11-23(40)13-21(31)6-9-24-25-14-28-34(27(42)18-39,32(25,2)15-26(41)33(24,31)35)44-30(43-28)20-5-10-29(38-17-20)37-16-19-3-7-22(36)8-4-19/h3-5,7-8,10-13,17,24-26,28,30,39,41H,6,9,14-16,18,36H2,1-2H3,(H,37,38)/t24-,25-,26-,28+,30+,31-,32-,33-,34+/m0/s1
PDB

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n/an/a 3.40n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM444986
PNG
(US10668167, Compound 3)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO7/c1-31-12-11-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)44-30(43-29)18-3-7-21(8-4-18)42-22-9-5-19(37)6-10-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
PDB

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n/an/a 3.60n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445051
PNG
(US10668167, Compound 63)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C34H37NO8S/c1-32-14-13-22(37)15-20(32)5-12-25-26-16-29-34(28(39)18-36,33(26,2)17-27(38)30(25)32)43-31(42-29)19-3-8-23(9-4-19)44(40,41)24-10-6-21(35)7-11-24/h3-4,6-11,13-15,25-27,29-31,36,38H,5,12,16-18,35H2,1-2H3/t25-,26-,27-,29+,30+,31+,32-,33-,34+/m0/s1
PDB

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n/an/a 3.80n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445041
PNG
(US10668167, Compound 51)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO8/c1-31-10-9-19(39)12-23(31)24(35)13-22-21-14-29-34(28(42)16-38,32(21,2)15-27(41)33(22,31)36)45-30(44-29)17-3-8-26(25(40)11-17)43-20-6-4-18(37)5-7-20/h3-12,21-22,24,27,29-30,38,40-41H,13-16,37H2,1-2H3/t21-,22-,24-,27-,29+,30+,31-,32-,33-,34+/m0/s1
PDB

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n/an/a 4.20n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445039
PNG
(US10668167, Compound 49)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO7/c1-33-11-10-24(38)15-22(33)8-9-25-26-16-30-35(29(41)18-37,34(26,2)17-28(40)31(25)33)43-32(42-30)21-7-6-20(27(39)14-21)12-19-4-3-5-23(36)13-19/h3-7,10-11,13-15,25-26,28,30-32,37,39-40H,8-9,12,16-18,36H2,1-2H3/t25-,26-,28-,30+,31+,32+,33-,34-,35+/m0/s1
PDB

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n/an/a 5.60n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445045
PNG
(US10668167, Compound 57)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO6S/c1-33-13-12-24(38)14-22(33)10-11-26-27-16-30-35(29(40)18-37,34(27,2)17-28(39)31(26)33)42-32(41-30)21-8-6-20(7-9-21)19-43-25-5-3-4-23(36)15-25/h3-9,12-15,26-28,30-32,37,39H,10-11,16-19,36H2,1-2H3/t26-,27-,28-,30+,31+,32+,33-,34-,35+/m0/s1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445042
PNG
(US10668167, Compound 53)
Show SMILES C[C@@H](c1ccc(cc1)[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
Show InChI InChI=1S/C36H39F2NO6/c1-19(22-5-4-6-23(39)13-22)20-7-9-21(10-8-20)32-44-31-16-25-26-15-28(37)27-14-24(41)11-12-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25-,26-,28-,29-,31+,32-,33-,34-,35-,36+/m0/s1
PDB

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n/an/a 6.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445037
PNG
(US10668167, Compound 47)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO7/c1-32-9-8-22(40)13-25(32)26(36)14-24-23-15-30-35(29(43)17-39,33(23,2)16-28(42)34(24,32)37)45-31(44-30)20-7-6-19(27(41)12-20)10-18-4-3-5-21(38)11-18/h3-9,11-13,23-24,26,28,30-31,39,41-42H,10,14-17,38H2,1-2H3/t23-,24-,26-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM444985
PNG
(US10668167, Compound 2)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C34H37NO7/c1-32-14-13-22(37)15-20(32)5-12-25-26-16-29-34(28(39)18-36,33(26,2)17-27(38)30(25)32)42-31(41-29)19-3-8-23(9-4-19)40-24-10-6-21(35)7-11-24/h3-4,6-11,13-15,25-27,29-31,36,38H,5,12,16-18,35H2,1-2H3/t25-,26-,27-,29+,30+,31+,32-,33-,34+/m0/s1
PDB

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n/an/a 6.60n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445027
PNG
(US10668167, Compound 35)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NCc2ccc(N)cc2)nc1 |r,c:14,t:10|
Show InChI InChI=1S/C34H38FN3O6/c1-31-12-11-23(40)13-21(31)6-9-24-25-14-28-34(27(42)18-39,32(25,2)15-26(41)33(24,31)35)44-30(43-28)20-5-10-29(38-17-20)37-16-19-3-7-22(36)8-4-19/h3-5,7-8,10-13,17,24-26,28,30,39,41H,6,9,14-16,18,36H2,1-2H3,(H,37,38)/t24-,25-,26-,28+,30+,31-,32-,33-,34+/m0/s1
PDB

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AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445012
PNG
(US10668167, Compound 21)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO7/c1-31-11-10-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)44-30(43-29)18-6-8-21(9-7-18)42-22-5-3-4-19(37)12-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445024
PNG
(US10668167, Compound 32)
Show SMILES COc1cc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)ccc1N |r,c:26,t:22|
Show InChI InChI=1S/C36H39F2NO7/c1-33-11-10-22(41)14-25(33)26(37)15-24-23-16-31-36(30(43)18-40,34(23,2)17-29(42)35(24,33)38)46-32(45-31)21-7-4-19(5-8-21)12-20-6-9-27(39)28(13-20)44-3/h4-11,13-14,23-24,26,29,31-32,40,42H,12,15-18,39H2,1-3H3/t23-,24-,26-,29-,31+,32+,33-,34-,35-,36+/m0/s1
PDB

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n/an/a 7.40n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445053
PNG
(US10668167, Compound 67)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO7/c1-32-10-9-22(40)13-25(32)26(36)14-24-23-15-30-35(29(43)17-39,33(23,2)16-28(42)34(24,32)37)45-31(44-30)20-6-5-19(27(41)12-20)11-18-3-7-21(38)8-4-18/h3-10,12-13,23-24,26,28,30-31,39,41-42H,11,14-17,38H2,1-2H3/t23-,24-,26-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 7.49n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445046
PNG
(US10668167, Compound 58)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO7/c1-32-10-9-21(40)13-24(32)25(36)14-23-22-15-30-35(29(43)17-39,33(22,2)16-28(42)34(23,32)37)45-31(44-30)20-6-3-18(4-7-20)11-19-5-8-27(41)26(38)12-19/h3-10,12-13,22-23,25,28,30-31,39,41-42H,11,14-17,38H2,1-2H3/t22-,23-,25-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445040
PNG
(US10668167, Compound 50)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H38FNO6S/c1-32-13-12-24(39)14-22(32)10-11-26-27-16-30-35(29(41)18-38,33(27,2)17-28(40)34(26,32)36)43-31(42-30)21-8-6-20(7-9-21)19-44-25-5-3-4-23(37)15-25/h3-9,12-15,26-28,30-31,38,40H,10-11,16-19,37H2,1-2H3/t26-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50375120
PNG
(CHEMBL403040)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445013
PNG
(US10668167, Compound 22)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6/c1-32-11-10-23(40)14-26(32)27(36)15-25-24-16-30-35(29(42)18-39,33(24,2)17-28(41)34(25,32)37)44-31(43-30)21-8-6-19(7-9-21)12-20-4-3-5-22(38)13-20/h3-11,13-14,24-25,27-28,30-31,39,41H,12,15-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31-,32-,33-,34-,35+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445011
PNG
(US10668167, Compound 20)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6/c1-32-11-10-23(40)14-26(32)27(36)15-25-24-16-30-35(29(42)18-39,33(24,2)17-28(41)34(25,32)37)44-31(43-30)21-8-6-19(7-9-21)12-20-4-3-5-22(38)13-20/h3-11,13-14,24-25,27-28,30-31,39,41H,12,15-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445015
PNG
(US10668167, Compound 24)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6/c1-32-12-11-23(40)14-26(32)27(36)15-25-24-16-30-35(29(42)18-39,33(24,2)17-28(41)34(25,32)37)44-31(43-30)21-7-3-19(4-8-21)13-20-5-9-22(38)10-6-20/h3-12,14,24-25,27-28,30-31,39,41H,13,15-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445012
PNG
(US10668167, Compound 21)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO7/c1-31-11-10-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)44-30(43-29)18-6-8-21(9-7-18)42-22-5-3-4-19(37)12-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445000
PNG
(US10668167, Compound 9)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6S/c1-32-11-10-22(40)13-26(32)27(36)14-25-24-15-30-35(29(42)17-39,33(24,2)16-28(41)34(25,32)37)44-31(43-30)20-8-6-19(7-9-20)18-45-23-5-3-4-21(38)12-23/h3-13,24-25,27-28,30-31,39,41H,14-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445043
PNG
(US10668167, Compound 54)
Show SMILES C[C@@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
Show InChI InChI=1S/C36H39F2NO6/c1-19(22-5-4-6-23(39)13-22)20-7-9-21(10-8-20)32-44-31-16-25-26-15-28(37)27-14-24(41)11-12-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25-,26-,28-,29-,31+,32+,33-,34-,35-,36+/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM444988
PNG
(US10668167, Compound 4)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6S/c1-32-12-11-22(40)13-26(32)27(36)14-25-24-15-30-35(29(42)17-39,33(24,2)16-28(41)34(25,32)37)44-31(43-30)20-5-3-19(4-6-20)18-45-23-9-7-21(38)8-10-23/h3-13,24-25,27-28,30-31,39,41H,14-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445054
PNG
(US10668167, Compound 69)
Show SMILES C[C@]1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H37F2NO6S/c1-31-13-12-21(40)14-26(31)27(36)15-25-24-16-30-35(29(42)18-39,32(24,2)17-28(41)34(25,31)37)44-33(3,43-30)19-4-8-22(9-5-19)45-23-10-6-20(38)7-11-23/h4-14,24-25,27-28,30,39,41H,15-18,38H2,1-3H3/t24-,25-,27-,28-,30+,31-,32-,33+,34-,35+/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50375119
PNG
(CHEMBL401868)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2
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n/an/a 10n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445010
PNG
(US10668167, Compound 19)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6/c1-32-12-11-23(40)14-26(32)27(36)15-25-24-16-30-35(29(42)18-39,33(24,2)17-28(41)34(25,32)37)44-31(43-30)21-7-3-19(4-8-21)13-20-5-9-22(38)10-6-20/h3-12,14,24-25,27-28,30-31,39,41H,13,15-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31-,32-,33-,34-,35+/m0/s1
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n/an/a 10.1n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445018
PNG
(US10668167, Compound 27)
Show SMILES CNc1ccc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)cc1 |r,c:27,t:23|
Show InChI InChI=1S/C36H39F2NO6/c1-33-13-12-24(41)15-27(33)28(37)16-26-25-17-31-36(30(43)19-40,34(25,2)18-29(42)35(26,33)38)45-32(44-31)22-8-4-20(5-9-22)14-21-6-10-23(39-3)11-7-21/h4-13,15,25-26,28-29,31-32,39-40,42H,14,16-19H2,1-3H3/t25-,26-,28-,29-,31+,32+,33-,34-,35-,36+/m0/s1
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n/an/a 10.2n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445001
PNG
(US10668167, Compound 10)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO6S/c1-31-11-10-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)43-30(42-29)18-6-8-21(9-7-18)44-22-5-3-4-19(37)12-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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UniChem
US Patent
n/an/a 10.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445023
PNG
(US10668167, Compound 31)
Show SMILES CNc1ccc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)cc1OC |r,c:27,t:23|
Show InChI InChI=1S/C37H41F2NO7/c1-34-12-11-23(42)15-26(34)27(38)16-25-24-17-32-37(31(44)19-41,35(24,2)18-30(43)36(25,34)39)47-33(46-32)22-8-5-20(6-9-22)13-21-7-10-28(40-3)29(14-21)45-4/h5-12,14-15,24-25,27,30,32-33,40-41,43H,13,16-19H2,1-4H3/t24-,25-,27-,30-,32+,33+,34-,35-,36-,37+/m0/s1
PDB

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US Patent
n/an/a 10.7n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445014
PNG
(US10668167, Compound 23)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@@H](O[C@@]21C(=O)CO)c1ccc(Oc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO7/c1-31-11-10-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)44-30(43-29)18-6-8-21(9-7-18)42-22-5-3-4-19(37)12-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30-,31-,32-,33-,34+/m0/s1
PDB

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n/an/a 10.8n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445032
PNG
(US10668167, Compound 40)
Show SMILES C[C@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
Show InChI InChI=1S/C36H39F2NO6/c1-19(22-5-4-6-23(39)13-22)20-7-9-21(10-8-20)32-44-31-16-25-26-15-28(37)27-14-24(41)11-12-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25+,26+,28+,29+,31-,32-,33+,34+,35+,36-/m1/s1
PDB

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n/an/a 11.1n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445044
PNG
(US10668167, Compound 55)
Show SMILES C[C@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
Show InChI InChI=1S/C36H39F2NO6/c1-19(21-8-10-23(39)11-9-21)20-4-6-22(7-5-20)32-44-31-16-25-26-15-28(37)27-14-24(41)12-13-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25-,26-,28-,29-,31+,32+,33-,34-,35-,36+/m0/s1
PDB

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n/an/a 11.4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445000
PNG
(US10668167, Compound 9)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6S/c1-32-11-10-22(40)13-26(32)27(36)14-25-24-15-30-35(29(42)17-39,33(24,2)16-28(41)34(25,32)37)44-31(43-30)20-8-6-19(7-9-20)18-45-23-5-3-4-21(38)12-23/h3-13,24-25,27-28,30-31,39,41H,14-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
PDB

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n/an/a 11.6n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445052
PNG
(US10668167, Compound 64)
Show SMILES C[C@]1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO6S/c1-32-15-14-23(38)16-21(32)6-13-26-27-17-30-35(29(40)19-37,33(27,2)18-28(39)31(26)32)42-34(3,41-30)20-4-9-24(10-5-20)43-25-11-7-22(36)8-12-25/h4-5,7-12,14-16,26-28,30-31,37,39H,6,13,17-19,36H2,1-3H3/t26-,27-,28-,30+,31+,32-,33-,34+,35+/m0/s1
PDB

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n/an/a 11.6n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445038
PNG
(US10668167, Compound 48)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO7/c1-33-12-11-23(38)15-22(33)8-9-24-25-16-30-35(29(41)18-37,34(25,2)17-28(40)31(24)33)43-32(42-30)21-6-3-19(4-7-21)13-20-5-10-27(39)26(36)14-20/h3-7,10-12,14-15,24-25,28,30-32,37,39-40H,8-9,13,16-18,36H2,1-2H3/t24-,25-,28-,30+,31+,32+,33-,34-,35+/m0/s1
PDB

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n/an/a 11.8n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM444995
PNG
(US10668167, Compound 5)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H37F2NO6S/c1-32-12-11-22(40)13-26(32)27(36)14-25-24-15-30-35(29(42)17-39,33(24,2)16-28(41)34(25,32)37)44-31(43-30)20-5-3-19(4-6-20)18-45-23-9-7-21(38)8-10-23/h3-13,24-25,27-28,30-31,39,41H,14-18,38H2,1-2H3/t24-,25-,27-,28-,30+,31-,32-,33-,34-,35+/m0/s1
PDB

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n/an/a 12n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445054
PNG
(US10668167, Compound 69)
Show SMILES C[C@]1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H37F2NO6S/c1-31-13-12-21(40)14-26(31)27(36)15-25-24-16-30-35(29(42)18-39,32(24,2)17-28(41)34(25,31)37)44-33(3,43-30)19-4-8-22(9-5-19)45-23-10-6-20(38)7-11-23/h4-14,24-25,27-28,30,39,41H,15-18,38H2,1-3H3/t24-,25-,27-,28-,30+,31-,32-,33+,34-,35+/m0/s1
PDB

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AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445048
PNG
(US10668167, Compound 60)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C34H37NO6S/c1-32-13-12-22(37)14-20(32)8-11-25-26-16-29-34(28(39)18-36,33(26,2)17-27(38)30(25)32)41-31(40-29)19-6-9-23(10-7-19)42-24-5-3-4-21(35)15-24/h3-7,9-10,12-15,25-27,29-31,36,38H,8,11,16-18,35H2,1-2H3/t25-,26-,27-,29+,30+,31+,32-,33-,34+/m0/s1
PDB

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n/an/a 12.1n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445026
PNG
(US10668167, Compound 34)
Show SMILES COc1cc(Cc2ccc(cc2)[C@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)ccc1N |r,c:26,t:22|
Show InChI InChI=1S/C36H39F2NO7/c1-33-11-10-22(41)14-25(33)26(37)15-24-23-16-31-36(30(43)18-40,34(23,2)17-29(42)35(24,33)38)46-32(45-31)21-7-4-19(5-8-21)12-20-6-9-27(39)28(13-20)44-3/h4-11,13-14,23-24,26,29,31-32,40,42H,12,15-18,39H2,1-3H3/t23-,24-,26-,29-,31+,32-,33-,34-,35-,36+/m0/s1
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n/an/a 12.2n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445034
PNG
(US10668167, Compound 42)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H38FNO6/c1-32-13-12-25(39)16-23(32)10-11-26-27-17-30-35(29(41)19-38,33(27,2)18-28(40)34(26,32)36)43-31(42-30)22-8-6-20(7-9-22)14-21-4-3-5-24(37)15-21/h3-9,12-13,15-16,26-28,30-31,38,40H,10-11,14,17-19,37H2,1-2H3/t26-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
PDB

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n/an/a 12.4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445047
PNG
(US10668167, Compound 59)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C34H36FNO6S/c1-31-13-12-22(38)14-20(31)8-11-25-26-16-29-34(28(40)18-37,32(26,2)17-27(39)33(25,31)35)42-30(41-29)19-6-9-23(10-7-19)43-24-5-3-4-21(36)15-24/h3-7,9-10,12-15,25-27,29-30,37,39H,8,11,16-18,36H2,1-2H3/t25-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445030
PNG
(US10668167, Compound 38)
Show SMILES C[C@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|
Show InChI InChI=1S/C35H40FN3O6/c1-19(20-4-8-23(37)9-5-20)39-30-11-6-21(17-38-30)31-44-29-15-26-25-10-7-22-14-24(41)12-13-32(22,2)34(25,36)27(42)16-33(26,3)35(29,45-31)28(43)18-40/h4-6,8-9,11-14,17,19,25-27,29,31,40,42H,7,10,15-16,18,37H2,1-3H3,(H,38,39)/t19-,25-,26-,27-,29+,31+,32-,33-,34-,35+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445024
PNG
(US10668167, Compound 32)
Show SMILES COc1cc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)ccc1N |r,c:26,t:22|
Show InChI InChI=1S/C36H39F2NO7/c1-33-11-10-22(41)14-25(33)26(37)15-24-23-16-31-36(30(43)18-40,34(23,2)17-29(42)35(24,33)38)46-32(45-31)21-7-4-19(5-8-21)12-20-6-9-27(39)28(13-20)44-3/h4-11,13-14,23-24,26,29,31-32,40,42H,12,15-18,39H2,1-3H3/t23-,24-,26-,29-,31+,32+,33-,34-,35-,36+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445029
PNG
(US10668167, Compound 37)
Show SMILES C[C@@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|
Show InChI InChI=1S/C35H40FN3O6/c1-19(20-4-8-23(37)9-5-20)39-30-11-6-21(17-38-30)31-44-29-15-26-25-10-7-22-14-24(41)12-13-32(22,2)34(25,36)27(42)16-33(26,3)35(29,45-31)28(43)18-40/h4-6,8-9,11-14,17,19,25-27,29,31,40,42H,7,10,15-16,18,37H2,1-3H3,(H,38,39)/t19-,25+,26+,27+,29-,31-,32+,33+,34+,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.1n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM445021
PNG
(US10668167, Compound 29)
Show SMILES CNc1cccc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)c1 |r,c:28,t:24|
Show InChI InChI=1S/C36H39F2NO6/c1-33-12-11-24(41)15-27(33)28(37)16-26-25-17-31-36(30(43)19-40,34(25,2)18-29(42)35(26,33)38)45-32(44-31)22-9-7-20(8-10-22)13-21-5-4-6-23(14-21)39-3/h4-12,14-15,25-26,28-29,31-32,39-40,42H,13,16-19H2,1-3H3/t25-,26-,28-,29-,31+,32+,33-,34-,35-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.2n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445016
PNG
(US10668167, Compound 25)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36ClF2NO6/c1-32-10-9-21(41)13-24(32)26(37)14-23-22-15-30-35(29(43)17-40,33(22,2)16-28(42)34(23,32)38)45-31(44-30)20-6-3-18(4-7-20)11-19-5-8-25(36)27(39)12-19/h3-10,12-13,22-23,26,28,30-31,40,42H,11,14-17,39H2,1-2H3/t22-,23-,26-,28-,30+,31+,32-,33-,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.3n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445047
PNG
(US10668167, Compound 59)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C34H36FNO6S/c1-31-13-12-22(38)14-20(31)8-11-25-26-16-29-34(28(40)18-37,32(26,2)17-27(39)33(25,31)35)42-30(41-29)19-6-9-23(10-7-19)43-24-5-3-4-21(36)15-24/h3-7,9-10,12-15,25-27,29-30,37,39H,8,11,16-18,36H2,1-2H3/t25-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
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