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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50040941   
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))
BDBM50402501
PNG
(CHEMBL2204040)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(55.79,-2.75,;54.45,-3.51,;53.11,-2.73,;51.76,-3.49,;51.76,-5.03,;53.09,-5.81,;53.09,-7.38,;51.76,-8.16,;51.76,-9.71,;50.42,-10.48,;49.09,-9.71,;47.74,-10.51,;49.09,-8.17,;50.44,-7.39,;50.44,-5.85,;53.08,-10.49,;53.08,-12.03,;54.39,-12.8,;55.73,-12.04,;55.73,-10.5,;54.4,-9.72,;57.05,-12.82,;58.38,-12.06,;59.7,-12.83,;59.7,-14.38,;58.36,-15.14,;57.05,-14.36,;54.45,-5.06,)|
Show InChI InChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28)/t19-,20+
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3n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402502
PNG
(CHEMBL2204038)
Show SMILES O=c1[nH]c([C@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1 |r,wU:4.3,wD:7.10,(17.05,-11.54,;18.4,-10.75,;19.73,-11.51,;21.07,-10.74,;22.39,-11.52,;23.71,-10.75,;25.04,-11.53,;25.04,-13.07,;23.7,-13.83,;22.39,-13.06,;26.36,-13.85,;27.69,-13.09,;29.01,-13.86,;29.01,-15.41,;27.67,-16.17,;26.36,-15.39,;21.07,-9.19,;22.4,-8.41,;22.4,-6.85,;23.77,-6.09,;23.77,-4.55,;22.42,-3.76,;21.08,-4.52,;21.08,-6.06,;19.75,-8.43,;19.75,-6.89,;18.4,-9.2,)|
Show InChI InChI=1S/C23H24N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,24,25,26,27)/t18-,19-
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4n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402494
PNG
(CHEMBL2204047)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1Cl |r,wU:15.15,18.22,(47.9,-44.62,;46.57,-45.39,;45.23,-44.61,;43.88,-45.36,;43.88,-46.9,;45.21,-47.69,;45.21,-49.25,;43.88,-50.03,;43.88,-51.59,;42.53,-52.35,;41.2,-51.59,;39.85,-52.38,;41.2,-50.04,;42.55,-49.27,;42.55,-47.73,;45.19,-52.36,;45.19,-53.9,;46.5,-54.67,;47.84,-53.91,;47.84,-52.37,;46.52,-51.59,;49.17,-54.69,;50.5,-53.93,;51.82,-54.7,;51.82,-56.25,;50.48,-57.01,;49.17,-56.23,;46.57,-46.93,;47.9,-47.71,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,26,27,28,29)/t15-,16+
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5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402499
PNG
(CHEMBL2204042)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.17,19.24,(27.25,-29.65,;25.92,-28.87,;25.92,-27.33,;24.58,-26.54,;23.23,-27.3,;23.23,-28.84,;24.56,-29.63,;24.56,-31.19,;23.23,-31.97,;23.23,-33.53,;21.89,-34.29,;20.55,-33.53,;19.2,-34.32,;20.55,-31.98,;21.9,-31.21,;21.9,-29.67,;24.54,-34.3,;24.54,-35.84,;25.85,-36.61,;27.19,-35.85,;27.19,-34.31,;25.87,-33.53,;28.52,-36.63,;29.85,-35.87,;31.17,-36.64,;31.17,-38.19,;29.83,-38.95,;28.52,-38.17,)|
Show InChI InChI=1S/C23H23ClN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28)/t16-,17+
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7n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402498
PNG
(CHEMBL2204043)
Show SMILES FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:18.18,21.25,(48.13,-27.4,;46.8,-26.63,;46.8,-25.09,;48.12,-25.84,;45.46,-27.39,;44.12,-26.61,;42.77,-27.37,;42.77,-28.91,;44.1,-29.69,;44.1,-31.25,;42.77,-32.04,;42.77,-33.59,;41.43,-34.36,;40.09,-33.59,;38.74,-34.38,;40.09,-32.04,;41.44,-31.27,;41.44,-29.73,;44.08,-34.36,;44.08,-35.9,;45.39,-36.68,;46.73,-35.92,;46.73,-34.38,;45.41,-33.59,;48.06,-36.7,;49.39,-35.93,;50.71,-36.71,;50.71,-38.25,;49.37,-39.01,;48.06,-38.23,;45.46,-28.94,)|
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18+
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8n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402495
PNG
(CHEMBL2204046)
Show SMILES Clc1ccc(Cl)c(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(23.01,-44.53,;24.34,-45.3,;25.69,-44.54,;27.03,-45.33,;27.03,-46.87,;28.36,-47.65,;25.67,-47.63,;25.67,-49.19,;24.34,-49.97,;24.34,-51.52,;23,-52.29,;21.67,-51.53,;20.31,-52.32,;21.67,-49.98,;23.01,-49.21,;23.01,-47.67,;25.66,-52.3,;25.66,-53.84,;26.96,-54.61,;28.3,-53.85,;28.3,-52.31,;26.98,-51.53,;29.63,-54.63,;30.96,-53.87,;32.28,-54.64,;32.28,-56.19,;30.94,-56.95,;29.63,-56.17,;24.34,-46.84,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-18-10-11-20(25)17(12-18)13-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-12,15-16H,6-9,13H2,(H2,26,27,28,29)/t15-,16+
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8n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216491
PNG
(5-benzyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
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8n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402479
PNG
(CHEMBL2204062)
Show SMILES CN(C)CCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(C)c2)c1=O |r,wU:10.9,13.16,(35.07,-8.79,;36.41,-8.02,;36.41,-6.48,;37.74,-8.79,;39.07,-8.02,;40.41,-8.79,;40.41,-10.34,;39.06,-11.13,;41.74,-11.11,;43.08,-10.34,;44.4,-11.11,;44.4,-12.65,;45.71,-13.42,;47.05,-12.66,;47.05,-11.12,;45.72,-10.34,;48.38,-13.44,;49.7,-12.68,;51.03,-13.45,;51.03,-15,;49.69,-15.76,;48.38,-14.98,;43.08,-8.78,;44.41,-8,;44.41,-6.44,;43.09,-5.65,;43.09,-4.11,;44.43,-3.35,;45.78,-4.14,;47.11,-3.37,;45.78,-5.68,;41.76,-8.02,;41.76,-6.48,)|
Show InChI InChI=1S/C28H35N3O2/c1-20-8-7-9-21(18-20)19-25-26(29-28(33)31(27(25)32)17-16-30(2)3)24-14-12-23(13-15-24)22-10-5-4-6-11-22/h4-11,18,23-24H,12-17,19H2,1-3H3,(H,29,33)/t23-,24+
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9n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402496
PNG
(CHEMBL2204045)
Show SMILES COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(12.38,-46.43,;11.04,-47.19,;9.72,-46.41,;9.72,-44.86,;8.37,-44.08,;7.03,-44.84,;7.03,-46.38,;8.36,-47.16,;8.36,-48.72,;7.02,-49.51,;7.02,-51.06,;5.68,-51.83,;4.35,-51.06,;3,-51.85,;4.35,-49.51,;5.7,-48.74,;5.7,-47.2,;8.34,-51.83,;8.34,-53.37,;9.65,-54.15,;10.99,-53.39,;10.99,-51.85,;9.67,-51.06,;12.32,-54.17,;13.64,-53.4,;14.97,-54.18,;14.97,-55.72,;13.63,-56.48,;12.32,-55.7,)|
Show InChI InChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)/t17-,18+
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9n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402493
PNG
(CHEMBL2204048)
Show SMILES Clc1ccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cl)c1 |r,wU:14.14,17.21,(64.01,-42.17,;64,-43.7,;62.65,-44.46,;62.65,-46,;63.98,-46.79,;63.98,-48.35,;62.65,-49.13,;62.65,-50.69,;61.31,-51.45,;59.97,-50.69,;58.62,-51.48,;59.97,-49.14,;61.32,-48.37,;61.32,-46.83,;63.96,-51.46,;63.96,-53,;65.27,-53.77,;66.61,-53.01,;66.61,-51.47,;65.29,-50.69,;67.94,-53.79,;69.27,-53.03,;70.59,-53.8,;70.59,-55.35,;69.25,-56.11,;67.94,-55.33,;65.34,-46.03,;66.67,-46.81,;65.34,-44.49,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-18-11-10-17(20(25)13-18)12-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-11,13,15-16H,6-9,12H2,(H2,26,27,28,29)/t15-,16+
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11n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402492
PNG
(CHEMBL2204049)
Show SMILES Clc1cccc(Cl)c1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.66,-4.6,;10.33,-3.82,;10.33,-2.28,;8.99,-1.49,;7.64,-2.25,;7.64,-3.79,;6.3,-3.02,;8.97,-4.57,;8.97,-6.14,;7.64,-6.92,;7.64,-8.47,;6.3,-9.24,;4.96,-8.47,;3.61,-9.27,;4.96,-6.93,;6.31,-6.15,;6.31,-4.61,;8.95,-9.25,;8.95,-10.79,;10.26,-11.56,;11.6,-10.8,;11.6,-9.26,;10.28,-8.48,;12.93,-11.58,;14.26,-10.82,;15.58,-11.59,;15.58,-13.14,;14.24,-13.9,;12.93,-13.12,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-7-4-8-20(25)17(19)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,26,27,28,29)/t15-,16+
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11n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402478
PNG
(CHEMBL2204063)
Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:6.5,9.12,(3.45,-26.67,;4.78,-27.44,;4.78,-28.99,;3.43,-29.78,;6.11,-29.75,;7.45,-28.98,;8.77,-29.76,;8.77,-31.3,;10.08,-32.07,;11.42,-31.31,;11.42,-29.77,;10.09,-28.99,;12.74,-32.09,;14.07,-31.33,;15.39,-32.1,;15.39,-33.65,;14.05,-34.41,;12.74,-33.63,;7.45,-27.43,;8.78,-26.65,;8.78,-25.08,;7.45,-24.3,;7.45,-22.76,;8.8,-22,;10.14,-22.79,;10.14,-24.33,;11.48,-22.02,;12.81,-22.79,;11.48,-20.48,;12.8,-21.24,;6.13,-26.66,;6.13,-25.13,)|
Show InChI InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)/t18-,19+
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16n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402483
PNG
(CHEMBL2204058)
Show SMILES FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:18.18,21.25,(8.34,-35.49,;8.33,-37.03,;6.99,-37.8,;6.98,-36.26,;9.66,-37.81,;11.01,-37.05,;12.35,-37.84,;12.35,-39.38,;10.99,-40.13,;10.99,-41.7,;9.65,-42.48,;9.65,-44.03,;8.31,-44.8,;6.98,-44.04,;5.63,-44.83,;6.98,-42.49,;8.33,-41.71,;8.33,-40.17,;10.97,-44.81,;10.97,-46.35,;12.28,-47.12,;13.62,-46.36,;13.62,-44.82,;12.3,-44.04,;14.95,-47.14,;16.28,-46.38,;17.6,-47.15,;17.6,-48.7,;16.26,-49.46,;14.95,-48.68,;9.66,-39.35,)|
Show InChI InChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31)/t15-,16+
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18n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402480
PNG
(CHEMBL2204061)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)n(C)c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(29.26,-4.19,;27.93,-4.95,;26.58,-4.17,;25.24,-4.93,;25.24,-6.47,;26.57,-7.25,;26.57,-8.81,;25.23,-9.6,;25.23,-11.15,;23.89,-11.92,;22.56,-11.15,;21.21,-11.94,;22.56,-9.61,;21.23,-8.83,;23.91,-8.83,;23.91,-7.29,;26.55,-11.92,;26.55,-13.46,;27.86,-14.24,;29.2,-13.48,;29.2,-11.94,;27.87,-11.15,;30.53,-14.26,;31.85,-13.49,;33.18,-14.27,;33.18,-15.81,;31.84,-16.57,;30.53,-15.8,;27.93,-6.5,)|
Show InChI InChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)/t20-,21+
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19n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402500
PNG
(CHEMBL2204041)
Show SMILES CCc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.27,-28.43,;9.93,-29.19,;8.61,-28.41,;8.61,-26.86,;7.26,-26.08,;5.92,-26.84,;5.92,-28.38,;7.24,-29.16,;7.24,-30.72,;5.91,-31.51,;5.91,-33.06,;4.57,-33.83,;3.24,-33.06,;1.89,-33.85,;3.24,-31.51,;4.59,-30.74,;4.59,-29.2,;7.23,-33.83,;7.23,-35.37,;8.54,-36.15,;9.88,-35.39,;9.88,-33.85,;8.55,-33.06,;11.2,-36.17,;12.53,-35.4,;13.85,-36.18,;13.85,-37.72,;12.51,-38.48,;11.2,-37.7,)|
Show InChI InChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)/t19-,20+
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19n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402501
PNG
(CHEMBL2204040)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(55.79,-2.75,;54.45,-3.51,;53.11,-2.73,;51.76,-3.49,;51.76,-5.03,;53.09,-5.81,;53.09,-7.38,;51.76,-8.16,;51.76,-9.71,;50.42,-10.48,;49.09,-9.71,;47.74,-10.51,;49.09,-8.17,;50.44,-7.39,;50.44,-5.85,;53.08,-10.49,;53.08,-12.03,;54.39,-12.8,;55.73,-12.04,;55.73,-10.5,;54.4,-9.72,;57.05,-12.82,;58.38,-12.06,;59.7,-12.83,;59.7,-14.38,;58.36,-15.14,;57.05,-14.36,;54.45,-5.06,)|
Show InChI InChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28)/t19-,20+
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21n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402482
PNG
(CHEMBL2204059)
Show SMILES Cc1ccnc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(31.62,-37.88,;30.28,-38.65,;28.94,-37.86,;27.59,-38.62,;27.59,-40.16,;28.92,-40.95,;28.92,-42.51,;27.59,-43.29,;27.59,-44.85,;26.24,-45.62,;24.91,-44.85,;23.56,-45.64,;24.91,-43.3,;26.26,-42.53,;26.26,-40.99,;28.9,-45.62,;28.9,-47.16,;30.21,-47.93,;31.55,-47.17,;31.55,-45.63,;30.23,-44.85,;32.88,-47.95,;34.21,-47.19,;35.53,-47.96,;35.53,-49.51,;34.19,-50.27,;32.88,-49.49,;30.28,-40.19,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H2,25,26,27,28)/t17-,18+
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21n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402484
PNG
(CHEMBL2204057)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:15.15,18.22,(58.07,-19.9,;59.4,-20.68,;60.75,-19.92,;62.09,-20.7,;62.09,-22.24,;60.73,-23,;60.73,-24.56,;59.4,-25.35,;59.4,-26.9,;58.06,-27.67,;56.72,-26.9,;55.37,-27.69,;56.72,-25.35,;58.07,-24.58,;58.07,-23.04,;60.72,-27.67,;60.72,-29.21,;62.02,-29.99,;63.36,-29.23,;63.36,-27.68,;62.04,-26.9,;64.69,-30.01,;66.02,-29.24,;67.34,-30.02,;67.34,-31.56,;66,-32.32,;64.69,-31.54,;59.4,-22.22,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-6-5-9-19(24-15)14-20-21(25-23(28)26-22(20)27)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-9,17-18H,10-14H2,1H3,(H2,25,26,27,28)/t17-,18+
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22n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402495
PNG
(CHEMBL2204046)
Show SMILES Clc1ccc(Cl)c(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(23.01,-44.53,;24.34,-45.3,;25.69,-44.54,;27.03,-45.33,;27.03,-46.87,;28.36,-47.65,;25.67,-47.63,;25.67,-49.19,;24.34,-49.97,;24.34,-51.52,;23,-52.29,;21.67,-51.53,;20.31,-52.32,;21.67,-49.98,;23.01,-49.21,;23.01,-47.67,;25.66,-52.3,;25.66,-53.84,;26.96,-54.61,;28.3,-53.85,;28.3,-52.31,;26.98,-51.53,;29.63,-54.63,;30.96,-53.87,;32.28,-54.64,;32.28,-56.19,;30.94,-56.95,;29.63,-56.17,;24.34,-46.84,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-18-10-11-20(25)17(12-18)13-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-12,15-16H,6-9,13H2,(H2,26,27,28,29)/t15-,16+
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23n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402498
PNG
(CHEMBL2204043)
Show SMILES FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:18.18,21.25,(48.13,-27.4,;46.8,-26.63,;46.8,-25.09,;48.12,-25.84,;45.46,-27.39,;44.12,-26.61,;42.77,-27.37,;42.77,-28.91,;44.1,-29.69,;44.1,-31.25,;42.77,-32.04,;42.77,-33.59,;41.43,-34.36,;40.09,-33.59,;38.74,-34.38,;40.09,-32.04,;41.44,-31.27,;41.44,-29.73,;44.08,-34.36,;44.08,-35.9,;45.39,-36.68,;46.73,-35.92,;46.73,-34.38,;45.41,-33.59,;48.06,-36.7,;49.39,-35.93,;50.71,-36.71,;50.71,-38.25,;49.37,-39.01,;48.06,-38.23,;45.46,-28.94,)|
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18+
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24n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402481
PNG
(CHEMBL2204060)
Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c1=O |r,wU:6.5,9.12,(4.04,-8.25,;5.37,-9.02,;5.37,-10.57,;4.02,-11.36,;6.7,-11.34,;8.04,-10.57,;9.36,-11.34,;9.36,-12.88,;10.67,-13.65,;12.01,-12.89,;12.01,-11.35,;10.68,-10.57,;13.33,-13.67,;14.66,-12.91,;15.98,-13.68,;15.98,-15.23,;14.64,-15.99,;13.33,-15.21,;8.04,-9.01,;9.37,-8.23,;9.37,-6.67,;10.74,-5.91,;10.74,-4.37,;9.39,-3.59,;8.05,-4.34,;8.05,-5.88,;6.72,-8.25,;6.72,-6.71,)|
Show InChI InChI=1S/C24H26N2O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,28)/t19-,20+
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24n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402494
PNG
(CHEMBL2204047)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1Cl |r,wU:15.15,18.22,(47.9,-44.62,;46.57,-45.39,;45.23,-44.61,;43.88,-45.36,;43.88,-46.9,;45.21,-47.69,;45.21,-49.25,;43.88,-50.03,;43.88,-51.59,;42.53,-52.35,;41.2,-51.59,;39.85,-52.38,;41.2,-50.04,;42.55,-49.27,;42.55,-47.73,;45.19,-52.36,;45.19,-53.9,;46.5,-54.67,;47.84,-53.91,;47.84,-52.37,;46.52,-51.59,;49.17,-54.69,;50.5,-53.93,;51.82,-54.7,;51.82,-56.25,;50.48,-57.01,;49.17,-56.23,;46.57,-46.93,;47.9,-47.71,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,26,27,28,29)/t15-,16+
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25n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402486
PNG
(CHEMBL2204055)
Show SMILES Cc1csc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:14.14,17.21,(28.98,-19.23,;28.07,-20.47,;26.51,-20.47,;26.02,-21.96,;27.29,-22.89,;27.29,-24.45,;25.96,-25.24,;25.96,-26.79,;24.62,-27.56,;23.28,-26.79,;21.93,-27.58,;23.28,-25.24,;24.63,-24.47,;24.63,-22.93,;27.28,-27.56,;27.28,-29.1,;28.58,-29.88,;29.92,-29.12,;29.92,-27.57,;28.6,-26.79,;31.25,-29.9,;32.58,-29.13,;33.9,-29.91,;33.9,-31.45,;32.56,-32.21,;31.25,-31.44,;28.56,-21.96,)|
Show InChI InChI=1S/C21H23N3O2S/c1-13-12-27-18(22-13)11-17-19(23-21(26)24-20(17)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,12,15-16H,7-11H2,1H3,(H2,23,24,25,26)/t15-,16+
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28n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402503
PNG
(CHEMBL2204039)
Show SMILES O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1 |r,wU:4.3,7.10,(32,-10.91,;33.35,-10.12,;34.68,-10.88,;36.02,-10.12,;37.34,-10.89,;37.34,-12.43,;38.65,-13.2,;39.99,-12.44,;39.99,-10.9,;38.67,-10.12,;41.32,-13.22,;42.64,-12.46,;43.97,-13.23,;43.97,-14.78,;42.63,-15.54,;41.32,-14.76,;36.02,-8.56,;37.36,-7.78,;37.36,-6.22,;38.72,-5.46,;38.72,-3.92,;37.37,-3.13,;36.03,-3.89,;36.03,-5.43,;34.7,-7.8,;34.7,-6.26,;33.35,-8.57,)|
Show InChI InChI=1S/C23H24N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,24,25,26,27)/t18-,19+
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32n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402499
PNG
(CHEMBL2204042)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.17,19.24,(27.25,-29.65,;25.92,-28.87,;25.92,-27.33,;24.58,-26.54,;23.23,-27.3,;23.23,-28.84,;24.56,-29.63,;24.56,-31.19,;23.23,-31.97,;23.23,-33.53,;21.89,-34.29,;20.55,-33.53,;19.2,-34.32,;20.55,-31.98,;21.9,-31.21,;21.9,-29.67,;24.54,-34.3,;24.54,-35.84,;25.85,-36.61,;27.19,-35.85,;27.19,-34.31,;25.87,-33.53,;28.52,-36.63,;29.85,-35.87,;31.17,-36.64,;31.17,-38.19,;29.83,-38.95,;28.52,-38.17,)|
Show InChI InChI=1S/C23H23ClN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28)/t16-,17+
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37n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402480
PNG
(CHEMBL2204061)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)n(C)c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(29.26,-4.19,;27.93,-4.95,;26.58,-4.17,;25.24,-4.93,;25.24,-6.47,;26.57,-7.25,;26.57,-8.81,;25.23,-9.6,;25.23,-11.15,;23.89,-11.92,;22.56,-11.15,;21.21,-11.94,;22.56,-9.61,;21.23,-8.83,;23.91,-8.83,;23.91,-7.29,;26.55,-11.92,;26.55,-13.46,;27.86,-14.24,;29.2,-13.48,;29.2,-11.94,;27.87,-11.15,;30.53,-14.26,;31.85,-13.49,;33.18,-14.27,;33.18,-15.81,;31.84,-16.57,;30.53,-15.8,;27.93,-6.5,)|
Show InChI InChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)/t20-,21+
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39n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402482
PNG
(CHEMBL2204059)
Show SMILES Cc1ccnc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(31.62,-37.88,;30.28,-38.65,;28.94,-37.86,;27.59,-38.62,;27.59,-40.16,;28.92,-40.95,;28.92,-42.51,;27.59,-43.29,;27.59,-44.85,;26.24,-45.62,;24.91,-44.85,;23.56,-45.64,;24.91,-43.3,;26.26,-42.53,;26.26,-40.99,;28.9,-45.62,;28.9,-47.16,;30.21,-47.93,;31.55,-47.17,;31.55,-45.63,;30.23,-44.85,;32.88,-47.95,;34.21,-47.19,;35.53,-47.96,;35.53,-49.51,;34.19,-50.27,;32.88,-49.49,;30.28,-40.19,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H2,25,26,27,28)/t17-,18+
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44n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402502
PNG
(CHEMBL2204038)
Show SMILES O=c1[nH]c([C@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1 |r,wU:4.3,wD:7.10,(17.05,-11.54,;18.4,-10.75,;19.73,-11.51,;21.07,-10.74,;22.39,-11.52,;23.71,-10.75,;25.04,-11.53,;25.04,-13.07,;23.7,-13.83,;22.39,-13.06,;26.36,-13.85,;27.69,-13.09,;29.01,-13.86,;29.01,-15.41,;27.67,-16.17,;26.36,-15.39,;21.07,-9.19,;22.4,-8.41,;22.4,-6.85,;23.77,-6.09,;23.77,-4.55,;22.42,-3.76,;21.08,-4.52,;21.08,-6.06,;19.75,-8.43,;19.75,-6.89,;18.4,-9.2,)|
Show InChI InChI=1S/C23H24N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,24,25,26,27)/t18-,19-
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44n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402493
PNG
(CHEMBL2204048)
Show SMILES Clc1ccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cl)c1 |r,wU:14.14,17.21,(64.01,-42.17,;64,-43.7,;62.65,-44.46,;62.65,-46,;63.98,-46.79,;63.98,-48.35,;62.65,-49.13,;62.65,-50.69,;61.31,-51.45,;59.97,-50.69,;58.62,-51.48,;59.97,-49.14,;61.32,-48.37,;61.32,-46.83,;63.96,-51.46,;63.96,-53,;65.27,-53.77,;66.61,-53.01,;66.61,-51.47,;65.29,-50.69,;67.94,-53.79,;69.27,-53.03,;70.59,-53.8,;70.59,-55.35,;69.25,-56.11,;67.94,-55.33,;65.34,-46.03,;66.67,-46.81,;65.34,-44.49,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-18-11-10-17(20(25)13-18)12-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-11,13,15-16H,6-9,12H2,(H2,26,27,28,29)/t15-,16+
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44n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402483
PNG
(CHEMBL2204058)
Show SMILES FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:18.18,21.25,(8.34,-35.49,;8.33,-37.03,;6.99,-37.8,;6.98,-36.26,;9.66,-37.81,;11.01,-37.05,;12.35,-37.84,;12.35,-39.38,;10.99,-40.13,;10.99,-41.7,;9.65,-42.48,;9.65,-44.03,;8.31,-44.8,;6.98,-44.04,;5.63,-44.83,;6.98,-42.49,;8.33,-41.71,;8.33,-40.17,;10.97,-44.81,;10.97,-46.35,;12.28,-47.12,;13.62,-46.36,;13.62,-44.82,;12.3,-44.04,;14.95,-47.14,;16.28,-46.38,;17.6,-47.15,;17.6,-48.7,;16.26,-49.46,;14.95,-48.68,;9.66,-39.35,)|
Show InChI InChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31)/t15-,16+
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47n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402489
PNG
(CHEMBL2204052)
Show SMILES Clc1cccnc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.17,19.24,(58.23,-5.04,;56.9,-4.26,;56.9,-2.71,;55.56,-1.93,;54.21,-2.69,;54.21,-4.23,;55.54,-5.01,;55.54,-6.58,;54.21,-7.36,;54.21,-8.91,;52.87,-9.68,;51.54,-8.91,;50.19,-9.7,;51.54,-7.37,;52.89,-6.59,;52.89,-5.05,;55.53,-9.68,;55.53,-11.22,;56.84,-12,;58.18,-11.24,;58.18,-9.7,;56.85,-8.91,;59.5,-12.02,;60.83,-11.26,;62.15,-12.03,;62.15,-13.57,;60.81,-14.34,;59.5,-13.56,)|
Show InChI InChI=1S/C22H22ClN3O2/c23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)/t15-,16+
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49n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402476
PNG
(CHEMBL2204037)
Show SMILES COCCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:9.8,12.15,(39.26,-27.75,;40.6,-26.98,;41.93,-27.75,;43.27,-26.98,;44.6,-27.75,;44.6,-29.3,;43.25,-30.09,;45.93,-30.07,;47.27,-29.3,;48.59,-30.07,;48.59,-31.61,;49.9,-32.39,;51.24,-31.63,;51.24,-30.08,;49.92,-29.3,;52.57,-32.41,;53.9,-31.64,;55.22,-32.42,;55.22,-33.96,;53.88,-34.72,;52.57,-33.94,;47.27,-27.75,;48.61,-26.96,;48.61,-25.4,;47.28,-24.61,;47.28,-23.07,;48.62,-22.31,;49.97,-23.1,;49.97,-24.64,;51.3,-22.33,;52.64,-23.11,;51.31,-20.79,;52.63,-21.55,;45.95,-26.98,;45.95,-25.44,)|
Show InChI InChI=1S/C27H29F3N2O3/c1-35-15-14-32-25(33)23(17-18-6-5-9-22(16-18)27(28,29)30)24(31-26(32)34)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-9,16,20-21H,10-15,17H2,1H3,(H,31,34)/t20-,21+
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>50n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402488
PNG
(CHEMBL2204053)
Show SMILES Cc1cc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)ccn1 |r,wU:13.13,16.20,(73.71,-1.93,;72.37,-2.7,;72.37,-4.24,;71.01,-5,;71.01,-6.56,;69.68,-7.34,;69.68,-8.9,;68.34,-9.67,;67.01,-8.9,;65.65,-9.69,;67.01,-7.35,;68.35,-6.58,;68.35,-5.04,;71,-9.67,;71,-11.21,;72.3,-11.98,;73.64,-11.22,;73.64,-9.68,;72.32,-8.9,;74.97,-12,;76.3,-11.24,;77.62,-12.01,;77.62,-13.56,;76.28,-14.32,;74.97,-13.54,;69.68,-4.21,;69.68,-2.67,;71.03,-1.91,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-13-16(11-12-24-15)14-20-21(25-23(28)26-22(20)27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-13,18-19H,7-10,14H2,1H3,(H2,25,26,27,28)/t18-,19+
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>50n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402496
PNG
(CHEMBL2204045)
Show SMILES COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(12.38,-46.43,;11.04,-47.19,;9.72,-46.41,;9.72,-44.86,;8.37,-44.08,;7.03,-44.84,;7.03,-46.38,;8.36,-47.16,;8.36,-48.72,;7.02,-49.51,;7.02,-51.06,;5.68,-51.83,;4.35,-51.06,;3,-51.85,;4.35,-49.51,;5.7,-48.74,;5.7,-47.2,;8.34,-51.83,;8.34,-53.37,;9.65,-54.15,;10.99,-53.39,;10.99,-51.85,;9.67,-51.06,;12.32,-54.17,;13.64,-53.4,;14.97,-54.18,;14.97,-55.72,;13.63,-56.48,;12.32,-55.7,)|
Show InChI InChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)/t17-,18+
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56n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402481
PNG
(CHEMBL2204060)
Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c1=O |r,wU:6.5,9.12,(4.04,-8.25,;5.37,-9.02,;5.37,-10.57,;4.02,-11.36,;6.7,-11.34,;8.04,-10.57,;9.36,-11.34,;9.36,-12.88,;10.67,-13.65,;12.01,-12.89,;12.01,-11.35,;10.68,-10.57,;13.33,-13.67,;14.66,-12.91,;15.98,-13.68,;15.98,-15.23,;14.64,-15.99,;13.33,-15.21,;8.04,-9.01,;9.37,-8.23,;9.37,-6.67,;10.74,-5.91,;10.74,-4.37,;9.39,-3.59,;8.05,-4.34,;8.05,-5.88,;6.72,-8.25,;6.72,-6.71,)|
Show InChI InChI=1S/C24H26N2O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,28)/t19-,20+
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57n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402484
PNG
(CHEMBL2204057)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:15.15,18.22,(58.07,-19.9,;59.4,-20.68,;60.75,-19.92,;62.09,-20.7,;62.09,-22.24,;60.73,-23,;60.73,-24.56,;59.4,-25.35,;59.4,-26.9,;58.06,-27.67,;56.72,-26.9,;55.37,-27.69,;56.72,-25.35,;58.07,-24.58,;58.07,-23.04,;60.72,-27.67,;60.72,-29.21,;62.02,-29.99,;63.36,-29.23,;63.36,-27.68,;62.04,-26.9,;64.69,-30.01,;66.02,-29.24,;67.34,-30.02,;67.34,-31.56,;66,-32.32,;64.69,-31.54,;59.4,-22.22,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-6-5-9-19(24-15)14-20-21(25-23(28)26-22(20)27)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-9,17-18H,10-14H2,1H3,(H2,25,26,27,28)/t17-,18+
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57n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402492
PNG
(CHEMBL2204049)
Show SMILES Clc1cccc(Cl)c1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.66,-4.6,;10.33,-3.82,;10.33,-2.28,;8.99,-1.49,;7.64,-2.25,;7.64,-3.79,;6.3,-3.02,;8.97,-4.57,;8.97,-6.14,;7.64,-6.92,;7.64,-8.47,;6.3,-9.24,;4.96,-8.47,;3.61,-9.27,;4.96,-6.93,;6.31,-6.15,;6.31,-4.61,;8.95,-9.25,;8.95,-10.79,;10.26,-11.56,;11.6,-10.8,;11.6,-9.26,;10.28,-8.48,;12.93,-11.58,;14.26,-10.82,;15.58,-11.59,;15.58,-13.14,;14.24,-13.9,;12.93,-13.12,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-7-4-8-20(25)17(19)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,26,27,28,29)/t15-,16+
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67n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402500
PNG
(CHEMBL2204041)
Show SMILES CCc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.27,-28.43,;9.93,-29.19,;8.61,-28.41,;8.61,-26.86,;7.26,-26.08,;5.92,-26.84,;5.92,-28.38,;7.24,-29.16,;7.24,-30.72,;5.91,-31.51,;5.91,-33.06,;4.57,-33.83,;3.24,-33.06,;1.89,-33.85,;3.24,-31.51,;4.59,-30.74,;4.59,-29.2,;7.23,-33.83,;7.23,-35.37,;8.54,-36.15,;9.88,-35.39,;9.88,-33.85,;8.55,-33.06,;11.2,-36.17,;12.53,-35.4,;13.85,-36.18,;13.85,-37.72,;12.51,-38.48,;11.2,-37.7,)|
Show InChI InChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)/t19-,20+
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78n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216491
PNG
(5-benzyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
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93n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402477
PNG
(CHEMBL2204064)
Show SMILES OCCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:8.7,11.14,(17.98,-27.26,;19.31,-28.03,;20.64,-27.26,;21.97,-28.03,;21.97,-29.58,;20.62,-30.37,;23.31,-30.35,;24.65,-29.58,;25.97,-30.35,;25.97,-31.89,;27.27,-32.66,;28.62,-31.91,;28.62,-30.36,;27.29,-29.58,;29.94,-32.69,;31.27,-31.92,;32.59,-32.7,;32.59,-34.24,;31.25,-35,;29.94,-34.22,;24.65,-28.03,;25.98,-27.24,;25.98,-25.68,;24.65,-24.89,;24.65,-23.35,;26,-22.59,;27.34,-23.38,;27.34,-24.92,;28.68,-22.61,;30.01,-23.39,;28.68,-21.07,;30,-21.83,;23.32,-27.26,;23.32,-25.72,)|
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-8-4-5-17(15-21)16-22-23(30-25(34)31(13-14-32)24(22)33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-8,15,19-20,32H,9-14,16H2,(H,30,34)/t19-,20+
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98n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402489
PNG
(CHEMBL2204052)
Show SMILES Clc1cccnc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.17,19.24,(58.23,-5.04,;56.9,-4.26,;56.9,-2.71,;55.56,-1.93,;54.21,-2.69,;54.21,-4.23,;55.54,-5.01,;55.54,-6.58,;54.21,-7.36,;54.21,-8.91,;52.87,-9.68,;51.54,-8.91,;50.19,-9.7,;51.54,-7.37,;52.89,-6.59,;52.89,-5.05,;55.53,-9.68,;55.53,-11.22,;56.84,-12,;58.18,-11.24,;58.18,-9.7,;56.85,-8.91,;59.5,-12.02,;60.83,-11.26,;62.15,-12.03,;62.15,-13.57,;60.81,-14.34,;59.5,-13.56,)|
Show InChI InChI=1S/C22H22ClN3O2/c23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)/t15-,16+
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116n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402486
PNG
(CHEMBL2204055)
Show SMILES Cc1csc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)n1 |r,wU:14.14,17.21,(28.98,-19.23,;28.07,-20.47,;26.51,-20.47,;26.02,-21.96,;27.29,-22.89,;27.29,-24.45,;25.96,-25.24,;25.96,-26.79,;24.62,-27.56,;23.28,-26.79,;21.93,-27.58,;23.28,-25.24,;24.63,-24.47,;24.63,-22.93,;27.28,-27.56,;27.28,-29.1,;28.58,-29.88,;29.92,-29.12,;29.92,-27.57,;28.6,-26.79,;31.25,-29.9,;32.58,-29.13,;33.9,-29.91,;33.9,-31.45,;32.56,-32.21,;31.25,-31.44,;28.56,-21.96,)|
Show InChI InChI=1S/C21H23N3O2S/c1-13-12-27-18(22-13)11-17-19(23-21(26)24-20(17)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,12,15-16H,7-11H2,1H3,(H2,23,24,25,26)/t15-,16+
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119n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402487
PNG
(CHEMBL2204054)
Show SMILES O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2nccs2)c(=O)[nH]1 |r,wU:4.3,7.10,(4.08,-27.58,;5.43,-26.79,;6.77,-27.56,;8.11,-26.79,;9.43,-27.56,;9.43,-29.1,;10.73,-29.88,;12.07,-29.12,;12.07,-27.58,;10.75,-26.79,;13.4,-29.9,;14.73,-29.13,;16.05,-29.91,;16.05,-31.45,;14.71,-32.22,;13.4,-31.44,;8.11,-25.24,;9.44,-24.45,;9.44,-22.89,;10.71,-21.96,;10.22,-20.47,;8.66,-20.47,;8.17,-21.96,;6.78,-24.47,;6.78,-22.93,;5.43,-25.24,)|
Show InChI InChI=1S/C20H21N3O2S/c24-19-16(12-17-21-10-11-26-17)18(22-20(25)23-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-11,14-15H,6-9,12H2,(H2,22,23,24,25)/t14-,15+
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139n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402478
PNG
(CHEMBL2204063)
Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:6.5,9.12,(3.45,-26.67,;4.78,-27.44,;4.78,-28.99,;3.43,-29.78,;6.11,-29.75,;7.45,-28.98,;8.77,-29.76,;8.77,-31.3,;10.08,-32.07,;11.42,-31.31,;11.42,-29.77,;10.09,-28.99,;12.74,-32.09,;14.07,-31.33,;15.39,-32.1,;15.39,-33.65,;14.05,-34.41,;12.74,-33.63,;7.45,-27.43,;8.78,-26.65,;8.78,-25.08,;7.45,-24.3,;7.45,-22.76,;8.8,-22,;10.14,-22.79,;10.14,-24.33,;11.48,-22.02,;12.81,-22.79,;11.48,-20.48,;12.8,-21.24,;6.13,-26.66,;6.13,-25.13,)|
Show InChI InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)/t18-,19+
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162n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402491
PNG
(CHEMBL2204050)
Show SMILES O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccn2)c(=O)[nH]1 |r,wU:4.3,7.10,(20.75,-9.97,;22.1,-9.18,;23.43,-9.94,;24.77,-9.17,;26.09,-9.95,;26.09,-11.49,;27.4,-12.26,;28.74,-11.5,;28.74,-9.96,;27.42,-9.18,;30.07,-12.28,;31.4,-11.52,;32.72,-12.29,;32.72,-13.84,;31.38,-14.6,;30.07,-13.82,;24.77,-7.62,;26.11,-6.84,;26.11,-5.27,;27.47,-4.52,;27.47,-2.98,;26.13,-2.19,;24.78,-2.95,;24.78,-4.49,;23.45,-6.85,;23.45,-5.32,;22.1,-7.63,)|
Show InChI InChI=1S/C22H23N3O2/c26-21-19(14-18-8-4-5-13-23-18)20(24-22(27)25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-8,13,16-17H,9-12,14H2,(H2,24,25,26,27)/t16-,17+
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188n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402487
PNG
(CHEMBL2204054)
Show SMILES O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2nccs2)c(=O)[nH]1 |r,wU:4.3,7.10,(4.08,-27.58,;5.43,-26.79,;6.77,-27.56,;8.11,-26.79,;9.43,-27.56,;9.43,-29.1,;10.73,-29.88,;12.07,-29.12,;12.07,-27.58,;10.75,-26.79,;13.4,-29.9,;14.73,-29.13,;16.05,-29.91,;16.05,-31.45,;14.71,-32.22,;13.4,-31.44,;8.11,-25.24,;9.44,-24.45,;9.44,-22.89,;10.71,-21.96,;10.22,-20.47,;8.66,-20.47,;8.17,-21.96,;6.78,-24.47,;6.78,-22.93,;5.43,-25.24,)|
Show InChI InChI=1S/C20H21N3O2S/c24-19-16(12-17-21-10-11-26-17)18(22-20(25)23-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-11,14-15H,6-9,12H2,(H2,22,23,24,25)/t14-,15+
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>300n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402479
PNG
(CHEMBL2204062)
Show SMILES CN(C)CCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(C)c2)c1=O |r,wU:10.9,13.16,(35.07,-8.79,;36.41,-8.02,;36.41,-6.48,;37.74,-8.79,;39.07,-8.02,;40.41,-8.79,;40.41,-10.34,;39.06,-11.13,;41.74,-11.11,;43.08,-10.34,;44.4,-11.11,;44.4,-12.65,;45.71,-13.42,;47.05,-12.66,;47.05,-11.12,;45.72,-10.34,;48.38,-13.44,;49.7,-12.68,;51.03,-13.45,;51.03,-15,;49.69,-15.76,;48.38,-14.98,;43.08,-8.78,;44.41,-8,;44.41,-6.44,;43.09,-5.65,;43.09,-4.11,;44.43,-3.35,;45.78,-4.14,;47.11,-3.37,;45.78,-5.68,;41.76,-8.02,;41.76,-6.48,)|
Show InChI InChI=1S/C28H35N3O2/c1-20-8-7-9-21(18-20)19-25-26(29-28(33)31(27(25)32)17-16-30(2)3)24-14-12-23(13-15-24)22-10-5-4-6-11-22/h4-11,18,23-24H,12-17,19H2,1-3H3,(H,29,33)/t23-,24+
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>300n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402491
PNG
(CHEMBL2204050)
Show SMILES O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccn2)c(=O)[nH]1 |r,wU:4.3,7.10,(20.75,-9.97,;22.1,-9.18,;23.43,-9.94,;24.77,-9.17,;26.09,-9.95,;26.09,-11.49,;27.4,-12.26,;28.74,-11.5,;28.74,-9.96,;27.42,-9.18,;30.07,-12.28,;31.4,-11.52,;32.72,-12.29,;32.72,-13.84,;31.38,-14.6,;30.07,-13.82,;24.77,-7.62,;26.11,-6.84,;26.11,-5.27,;27.47,-4.52,;27.47,-2.98,;26.13,-2.19,;24.78,-2.95,;24.78,-4.49,;23.45,-6.85,;23.45,-5.32,;22.1,-7.63,)|
Show InChI InChI=1S/C22H23N3O2/c26-21-19(14-18-8-4-5-13-23-18)20(24-22(27)25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-8,13,16-17H,9-12,14H2,(H2,24,25,26,27)/t16-,17+
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337n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402490
PNG
(CHEMBL2204051)
Show SMILES O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ncccn2)c(=O)[nH]1 |r,wU:4.3,7.10,(36.43,-10.38,;37.79,-9.58,;39.12,-10.35,;40.46,-9.58,;41.78,-10.36,;41.78,-11.9,;43.08,-12.67,;44.43,-11.91,;44.43,-10.37,;43.1,-9.59,;45.75,-12.69,;47.08,-11.93,;48.4,-12.7,;48.4,-14.25,;47.06,-15.01,;45.75,-14.23,;40.46,-8.03,;41.79,-7.25,;41.79,-5.68,;43.15,-4.93,;43.15,-3.38,;41.81,-2.6,;40.46,-3.36,;40.46,-4.9,;39.13,-7.26,;39.13,-5.72,;37.79,-8.04,)|
Show InChI InChI=1S/C21H22N4O2/c26-20-17(13-18-22-11-4-12-23-18)19(24-21(27)25-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-6,11-12,15-16H,7-10,13H2,(H2,24,25,26,27)/t15-,16+
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400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402497
PNG
(CHEMBL2204044)
Show SMILES CS(=O)(=O)c1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:19.20,22.27,(67.61,-29.33,;66.27,-30.09,;65.49,-31.42,;66.67,-31.58,;64.95,-29.31,;64.95,-27.77,;63.6,-26.98,;62.26,-27.74,;62.26,-29.28,;63.59,-30.06,;63.59,-31.63,;62.25,-32.41,;62.25,-33.96,;60.91,-34.73,;59.58,-33.96,;58.23,-34.76,;59.58,-32.42,;60.93,-31.64,;60.93,-30.1,;63.57,-34.74,;63.57,-36.28,;64.88,-37.05,;66.22,-36.29,;66.22,-34.75,;64.9,-33.97,;67.55,-37.07,;68.87,-36.31,;70.2,-37.08,;70.2,-38.63,;68.86,-39.39,;67.55,-38.61,)|
Show InChI InChI=1S/C24H26N2O4S/c1-31(29,30)21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)/t17-,18+
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557n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
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