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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'kirkland' and Initial = 'jk'   
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


(RAT)
BDBM50577704
PNG
(CHEMBL4863316)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@H](C)O |r,t:5|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577694
PNG
(CHEMBL4877227)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@H](C)O |r,t:5|
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n/an/a 0.200n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19205
PNG
((1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)C(C)(C)C |r,t:5|
Show InChI InChI=1S/C23H29FN2O/c1-22(2,3)21(27)19-7-5-6-16-12-20-15(13-23(16,19)4)14-25-26(20)18-10-8-17(24)9-11-18/h8-12,14,19,21,27H,5-7,13H2,1-4H3/t19-,21-,23+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577691
PNG
(CHEMBL4850526)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577710
PNG
(CHEMBL4857046)
Show SMILES [H][C@@]1(CCCC2=Cc3c(CC12)cnn3-c1ccc(OC)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|
Show InChI InChI=1S/C26H26F2N2O/c1-25-15-17-16-29-30(22-12-10-21(28)11-13-22)23(17)14-19(25)4-3-5-24(25)26(2,31)18-6-8-20(27)9-7-18/h6-14,16,24,31H,3-5,15H2,1-2H3/t24-,25-,26+/m0/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19217
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccsc1 |r,t:5|
Show InChI InChI=1S/C23H23FN2OS/c1-23-12-16-13-25-26(19-7-5-18(24)6-8-19)21(16)11-17(23)3-2-4-20(23)22(27)15-9-10-28-14-15/h5-11,13-14,20,22,27H,2-4,12H2,1H3/t20-,22+,23+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19203
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](C)O |r,t:5|
Show InChI InChI=1S/C20H23FN2O/c1-13(24)18-5-3-4-15-10-19-14(11-20(15,18)2)12-22-23(19)17-8-6-16(21)7-9-17/h6-10,12-13,18,24H,3-5,11H2,1-2H3/t13-,18+,20-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(RAT)
BDBM50577692
PNG
(CHEMBL4872787)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@](C)(O)c1ccsc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577690
PNG
(CHEMBL4855992)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccccc1 |r,t:5|
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n/an/a 7.90n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577701
PNG
(CHEMBL4868414)
Show SMILES [H][C@@]1(CCCC2=Cc3c(CC12)cnn3-c1ccc(C)cc1)[C@@](C)(O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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n/an/a 7.90n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24+,25+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(RAT)
BDBM50577697
PNG
(CHEMBL4846557)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@](C)(O)c1ccccc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19204
PNG
(2-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)C(C)(C)O |r,t:5|
Show InChI InChI=1S/C21H25FN2O/c1-20(2,25)19-6-4-5-15-11-18-14(12-21(15,19)3)13-23-24(18)17-9-7-16(22)8-10-17/h7-11,13,19,25H,4-6,12H2,1-3H3/t19-,21+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577702
PNG
(CHEMBL4875267)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@H](O)c1ccsc1 |r,t:5|
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19191
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccccc1 |r,t:5|
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24+,25+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577695
PNG
(CHEMBL4853394)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)C(C)(C)O |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577708
PNG
(CHEMBL4856145)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577703
PNG
(CHEMBL4872009)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@](C)(O)c1ccsc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577700
PNG
(CHEMBL4871954)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577709
PNG
(CHEMBL4867686)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@](C)(O)c1ccc(F)cc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577698
PNG
(CHEMBL4866467)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
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TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577696
PNG
(CHEMBL4860401)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@H](O)c1ccccc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577707
PNG
(CHEMBL4876447)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@](C)(O)c1ccccc1 |r,t:5|
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TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577712
PNG
(CHEMBL4864367)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@H](O)c1ccsc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577699
PNG
(CHEMBL4850324)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@@](C)(O)c1ccc(F)cc1 |r,t:5|
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n/an/a 631n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577706
PNG
(CHEMBL4845663)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@H](O)c1ccccc1 |r,t:5|
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TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577711
PNG
(CHEMBL4868293)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@](C)(O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577713
PNG
(CHEMBL4871994)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)[C@@](C)(O)c1ccsc1 |r,t:5|
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n/an/a 1.59E+3n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577693
PNG
(CHEMBL4867877)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CC#N |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577705
PNG
(CHEMBL4850604)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(OC)cc1)C(C)(C)O |r,t:5|
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n/an/a 2.51E+3n/an/an/an/an/an/a


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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(RAT)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(RAT)
BDBM19203
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](C)O |r,t:5|
Show InChI InChI=1S/C20H23FN2O/c1-13(24)18-5-3-4-15-10-19-14(11-20(15,18)2)12-22-23(19)17-8-6-16(21)7-9-17/h6-10,12-13,18,24H,3-5,11H2,1-2H3/t13-,18+,20-/m0/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19204
PNG
(2-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)C(C)(C)O |r,t:5|
Show InChI InChI=1S/C21H25FN2O/c1-20(2,25)19-6-4-5-15-11-18-14(12-21(15,19)3)13-23-24(18)17-9-7-16(22)8-10-17/h7-11,13,19,25H,4-6,12H2,1-3H3/t19-,21+/m1/s1
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19191
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccccc1 |r,t:5|
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24+,25+/m1/s1
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577690
PNG
(CHEMBL4855992)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccccc1 |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24+,25+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|
Show InChI InChI=1S/C26H26F2N2O/c1-25-15-17-16-29-30(22-12-10-21(28)11-13-22)23(17)14-19(25)4-3-5-24(25)26(2,31)18-6-8-20(27)9-7-18/h6-14,16,24,31H,3-5,15H2,1-2H3/t24-,25-,26+/m0/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577691
PNG
(CHEMBL4850526)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1cc(F)c(F)c(OC)c1 |r,t:5|
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19217
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccsc1 |r,t:5|
Show InChI InChI=1S/C23H23FN2OS/c1-23-12-16-13-25-26(19-7-5-18(24)6-8-19)21(16)11-17(23)3-2-4-20(23)22(27)15-9-10-28-14-15/h5-11,13-14,20,22,27H,2-4,12H2,1H3/t20-,22+,23+/m1/s1
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577692
PNG
(CHEMBL4872787)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@](C)(O)c1ccsc1 |r,t:5|
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Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19205
PNG
((1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)C(C)(C)C |r,t:5|
Show InChI InChI=1S/C23H29FN2O/c1-22(2,3)21(27)19-7-5-6-16-12-20-15(13-23(16,19)4)14-25-26(20)18-10-8-17(24)9-11-18/h8-12,14,19,21,27H,5-7,13H2,1-4H3/t19-,21-,23+/m1/s1
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577693
PNG
(CHEMBL4867877)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CC#N |r,t:5|
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Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577694
PNG
(CHEMBL4877227)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)[C@H](C)O |r,t:5|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.59E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50577695
PNG
(CHEMBL4853394)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(C)cc1)C(C)(C)O |r,t:5|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.398n/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
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