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Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'goldin' and Initial = 'e'   
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))
BDBM50265798
PNG
(CHEMBL3736358)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-7-9-23(10-8-22)37-26-15-20-11-13-36(41(39,40)24-5-3-4-21(14-24)29(31,32)33)18-28(20,16-19(26)17-35-37)27(38)25-6-1-2-12-34-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499246
PNG
(CHEMBL3735376)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H22F2N4O3S/c29-21-4-8-23(9-5-21)34-26-15-20-12-14-33(38(36,37)24-10-6-22(30)7-11-24)18-28(20,16-19(26)17-32-34)27(35)25-3-1-2-13-31-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265804
PNG
(CHEMBL3735124)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-4-6-25(15-20)38(36,37)33-14-12-22-16-27-21(18-32-34(27)24-10-8-23(30)9-11-24)17-29(22,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499255
PNG
(CHEMBL3735008)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cscn1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499257
PNG
(CHEMBL3736457)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cocn1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O4S/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265674
PNG
(CHEMBL3734774)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499256
PNG
(CHEMBL3736390)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccco1 |r,c:19|
Show InChI InChI=1S/C28H21F4N3O4S/c29-21-5-7-22(8-6-21)35-24-14-20-11-12-34(40(37,38)23-9-3-19(4-10-23)28(30,31)32)17-27(20,15-18(24)16-33-35)26(36)25-2-1-13-39-25/h1-10,13-14,16H,11-12,15,17H2/t27-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499245
PNG
(CHEMBL3735710)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:15|
Show InChI InChI=1S/C29H25FN4O4S/c1-38-24-5-4-6-25(16-24)39(36,37)33-14-12-21-15-27-20(18-32-34(27)23-10-8-22(30)9-11-23)17-29(21,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499254
PNG
(CHEMBL3734789)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cnccn1 |r,c:19|
Show InChI InChI=1S/C28H21F4N5O3S/c29-21-3-5-22(6-4-21)37-25-13-20-9-12-36(41(39,40)23-7-1-19(2-8-23)28(30,31)32)17-27(20,14-18(25)15-35-37)26(38)24-16-33-10-11-34-24/h1-8,10-11,13,15-16H,9,12,14,17H2/t27-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499248
PNG
(CHEMBL3735549)
Show SMILES Cc1ccccc1S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-6-2-3-8-27(20)38(36,37)33-15-13-22-16-26-21(18-32-34(26)24-11-9-23(30)10-12-24)17-29(22,19-33)28(35)25-7-4-5-14-31-25/h2-12,14,16,18H,13,15,17,19H2,1H3/t29-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499253
PNG
(CHEMBL3735496)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-11-25(12-6-20)38(36,37)33-15-13-22-16-27-21(18-32-34(27)24-9-7-23(30)8-10-24)17-29(22,19-33)28(35)26-4-2-3-14-31-26/h2-12,14,16,18H,13,15,17,19H2,1H3/t29-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265795
PNG
(CHEMBL3736000)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)c(F)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21F3N4O3S/c29-20-4-6-21(7-5-20)35-26-13-19-10-12-34(39(37,38)22-8-9-23(30)24(31)14-22)17-28(19,15-18(26)16-33-35)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499247
PNG
(CHEMBL3735209)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1nccs1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-23-13-19-9-11-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)16-26(19,14-17(23)15-33-35)24(36)25-32-10-12-39-25/h1-8,10,12-13,15H,9,11,14,16H2/t26-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499249
PNG
(CHEMBL3735564)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H22ClFN4O3S/c29-21-4-3-5-24(15-21)38(36,37)33-13-11-20-14-26-19(17-32-34(26)23-9-7-22(30)8-10-23)16-28(20,18-33)27(35)25-6-1-2-12-31-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265805
PNG
(CHEMBL3735218)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(c(F)c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H21F5N4O3S/c30-20-4-6-21(7-5-20)38-26-13-19-10-12-37(42(40,41)22-8-9-23(24(31)14-22)29(32,33)34)17-28(19,15-18(26)16-36-38)27(39)25-3-1-2-11-35-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499250
PNG
(CHEMBL3735251)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cncs1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-23-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(23)13-33-35)25(36)24-14-32-16-39-24/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499251
PNG
(CHEMBL3736175)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cccs1 |r,c:19|
Show InChI InChI=1S/C28H21F4N3O3S2/c29-21-5-7-22(8-6-21)35-24-14-20-11-12-34(40(37,38)23-9-3-19(4-10-23)28(30,31)32)17-27(20,15-18(24)16-33-35)26(36)25-2-1-13-39-25/h1-10,13-14,16H,11-12,15,17H2/t27-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499258
PNG
(CHEMBL3736379)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ncc[nH]1 |r,c:19|
Show InChI InChI=1S/C27H21F4N5O3S/c28-20-3-5-21(6-4-20)36-23-13-19-9-12-35(40(38,39)22-7-1-18(2-8-22)27(29,30)31)16-26(19,14-17(23)15-34-36)24(37)25-32-10-11-33-25/h1-8,10-11,13,15H,9,12,14,16H2,(H,32,33)/t26-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499243
PNG
(CHEMBL3735203)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21Cl2FN4O3S/c29-23-9-8-22(14-24(23)30)39(37,38)34-12-10-19-13-26-18(16-33-35(26)21-6-4-20(31)5-7-21)15-28(19,17-34)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499244
PNG
(CHEMBL3735046)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H21F5N4O3S/c30-20-4-6-21(7-5-20)38-26-13-19-10-12-37(42(40,41)22-8-9-24(31)23(14-22)29(32,33)34)17-28(19,15-18(26)16-36-38)27(39)25-3-1-2-11-35-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499252
PNG
(CHEMBL3735083)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cccnc1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-23-5-7-24(8-6-23)37-26-14-22-11-13-36(41(39,40)25-9-3-21(4-10-25)29(31,32)33)18-28(22,15-20(26)17-35-37)27(38)19-2-1-12-34-16-19/h1-10,12,14,16-17H,11,13,15,18H2/t28-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499253
PNG
(CHEMBL3735496)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-11-25(12-6-20)38(36,37)33-15-13-22-16-27-21(18-32-34(27)24-9-7-23(30)8-10-24)17-29(22,19-33)28(35)26-4-2-3-14-31-26/h2-12,14,16,18H,13,15,17,19H2,1H3/t29-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265804
PNG
(CHEMBL3735124)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-4-6-25(15-20)38(36,37)33-14-12-22-16-27-21(18-32-34(27)24-10-8-23(30)9-11-24)17-29(22,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372968
PNG
(CHEMBL271220)
Show SMILES CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:10|
Show InChI InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by reporter gene assay


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265795
PNG
(CHEMBL3736000)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)c(F)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21F3N4O3S/c29-20-4-6-21(7-5-20)35-26-13-19-10-12-34(39(37,38)22-8-9-23(30)24(31)14-22)17-28(19,15-18(26)16-33-35)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50499243
PNG
(CHEMBL3735203)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21Cl2FN4O3S/c29-23-9-8-22(14-24(23)30)39(37,38)34-12-10-19-13-26-18(16-33-35(26)21-6-4-20(31)5-7-21)15-28(19,17-34)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in rat H4IIEC3 cells assessed as glucocorticoid-induced TAT activity


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499244
PNG
(CHEMBL3735046)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H21F5N4O3S/c30-20-4-6-21(7-5-20)38-26-13-19-10-12-37(42(40,41)22-8-9-24(31)23(14-22)29(32,33)34)17-28(19,15-18(26)16-36-38)27(39)25-3-1-2-11-35-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499249
PNG
(CHEMBL3735564)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H22ClFN4O3S/c29-21-4-3-5-24(15-21)38(36,37)33-13-11-20-14-26-19(17-32-34(26)23-9-7-22(30)8-10-23)16-28(20,18-33)27(35)25-6-1-2-12-31-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499245
PNG
(CHEMBL3735710)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:15|
Show InChI InChI=1S/C29H25FN4O4S/c1-38-24-5-4-6-25(16-24)39(36,37)33-14-12-21-15-27-20(18-32-34(27)23-10-8-22(30)9-11-23)17-29(21,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1
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11n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265805
PNG
(CHEMBL3735218)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(c(F)c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H21F5N4O3S/c30-20-4-6-21(7-5-20)38-26-13-19-10-12-37(42(40,41)22-8-9-23(24(31)14-22)29(32,33)34)17-28(19,15-18(26)16-36-38)27(39)25-3-1-2-11-35-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50265674
PNG
(CHEMBL3734774)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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13n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in rat primary hepatocytes assessed as inhibition of glucocorticoid-induced TAT activity


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499243
PNG
(CHEMBL3735203)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21Cl2FN4O3S/c29-23-9-8-22(14-24(23)30)39(37,38)34-12-10-19-13-26-18(16-33-35(26)21-6-4-20(31)5-7-21)15-28(19,17-34)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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14n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265798
PNG
(CHEMBL3736358)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-7-9-23(10-8-22)37-26-15-20-11-13-36(41(39,40)24-5-3-4-21(14-24)29(31,32)33)18-28(20,16-19(26)17-35-37)27(38)25-6-1-2-12-34-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1
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14n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265674
PNG
(CHEMBL3734774)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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14n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265801
PNG
(CHEMBL3735851)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1
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15n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499246
PNG
(CHEMBL3735376)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H22F2N4O3S/c29-21-4-8-23(9-5-21)34-26-15-20-12-14-33(38(36,37)24-10-6-22(30)7-11-24)18-28(20,16-19(26)17-32-34)27(35)25-3-1-2-13-31-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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16n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50068039
PNG
(1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...)
Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)
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17n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human SST4 receptor


Medchemcomm 3: 56-60 (2012)


Article DOI: 10.1039/c1md00200g
BindingDB Entry DOI: 10.7270/Q2XP77XJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499247
PNG
(CHEMBL3735209)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1nccs1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-23-13-19-9-11-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)16-26(19,14-17(23)15-33-35)24(36)25-32-10-12-39-25/h1-8,10,12-13,15H,9,11,14,16H2/t26-/m0/s1
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18n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499248
PNG
(CHEMBL3735549)
Show SMILES Cc1ccccc1S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C29H25FN4O3S/c1-20-6-2-3-8-27(20)38(36,37)33-15-13-22-16-26-21(18-32-34(26)24-11-9-23(30)10-12-24)17-29(22,19-33)28(35)25-7-4-5-14-31-25/h2-12,14,16,18H,13,15,17,19H2,1H3/t29-/m0/s1
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19n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50496732
PNG
(CHEMBL1591268)
Show SMILES CN(CCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)C(=S)NCCCc1cnc[nH]1
Show InChI InChI=1S/C23H28BrClN6S/c1-30(23(32)27-11-2-4-21-15-26-17-29-21)12-3-13-31(22-10-7-19(24)14-28-22)16-18-5-8-20(25)9-6-18/h5-10,14-15,17H,2-4,11-13,16H2,1H3,(H,26,29)(H,27,32)
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19n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human SST4 receptor


Medchemcomm 3: 56-60 (2012)


Article DOI: 10.1039/c1md00200g
BindingDB Entry DOI: 10.7270/Q2XP77XJ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18428
PNG
(Aminoquinoline compound, 1 | N-[4-methyl-2-(morpho...)
Show SMILES Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
Show InChI InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
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21 -43.2 31n/an/an/an/a5.921



NIH



Assay Description
Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...


Proc Natl Acad Sci U S A 104: 13192-7 (2007)


Article DOI: 10.1073/pnas.0705637104
BindingDB Entry DOI: 10.7270/Q2V1232M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499255
PNG
(CHEMBL3735008)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cscn1 |r,c:19|
Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1
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22n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50496735
PNG
(CHEMBL1355048)
Show SMILES CN(CCCc1cnc[nH]1)C(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1
Show InChI InChI=1S/C23H28BrClN6S/c1-30(12-2-4-21-15-26-17-29-21)23(32)27-11-3-13-31(22-10-7-19(24)14-28-22)16-18-5-8-20(25)9-6-18/h5-10,14-15,17H,2-4,11-13,16H2,1H3,(H,26,29)(H,27,32)
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26n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human SST4 receptor


Medchemcomm 3: 56-60 (2012)


Article DOI: 10.1039/c1md00200g
BindingDB Entry DOI: 10.7270/Q2XP77XJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499251
PNG
(CHEMBL3736175)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cccs1 |r,c:19|
Show InChI InChI=1S/C28H21F4N3O3S2/c29-21-5-7-22(8-6-21)35-24-14-20-11-12-34(40(37,38)23-9-3-19(4-10-23)28(30,31)32)17-27(20,15-18(24)16-33-35)26(36)25-2-1-13-39-25/h1-10,13-14,16H,11-12,15,17H2/t27-/m0/s1
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27n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499256
PNG
(CHEMBL3736390)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccco1 |r,c:19|
Show InChI InChI=1S/C28H21F4N3O4S/c29-21-5-7-22(8-6-21)35-24-14-20-11-12-34(40(37,38)23-9-3-19(4-10-23)28(30,31)32)17-27(20,15-18(24)16-33-35)26(36)25-2-1-13-39-25/h1-10,13-14,16H,11-12,15,17H2/t27-/m0/s1
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31n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18438
PNG
(4-benzenesulfonamido-N-(5-ethyl-1,3,4-thiadiazol-2...)
Show SMILES CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
Show InChI InChI=1S/C17H16N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)12-8-10-13(11-9-12)21-26(23,24)14-6-4-3-5-7-14/h3-11,21H,2H2,1H3,(H,18,20,22)
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52 -41.0 103n/an/an/an/a5.921



NIH



Assay Description
Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...


Proc Natl Acad Sci U S A 104: 13192-7 (2007)


Article DOI: 10.1073/pnas.0705637104
BindingDB Entry DOI: 10.7270/Q2V1232M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50499258
PNG
(CHEMBL3736379)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ncc[nH]1 |r,c:19|
Show InChI InChI=1S/C27H21F4N5O3S/c28-20-3-5-21(6-4-20)36-23-13-19-9-12-35(40(38,39)22-7-1-18(2-8-22)27(29,30)31)16-26(19,14-17(23)15-34-36)24(37)25-32-10-11-33-25/h1-8,10-11,13,15H,9,12,14,16H2,(H,32,33)/t26-/m0/s1
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52n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18431
PNG
(Aminoquinoline compound, 16 | N-[4-methyl-2-(morph...)
Show SMILES CCCC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-16.03,6.94,;-14.69,6.17,;-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
Show InChI InChI=1S/C24H33N3O2/c1-3-4-18-5-7-19(8-6-18)24(28)25-20-9-10-22-21(16-20)17(2)15-23(26-22)27-11-13-29-14-12-27/h9-10,15-16,18-19H,3-8,11-14H2,1-2H3,(H,25,28)
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55 -40.9 133n/an/an/an/a5.921



NIH



Assay Description
Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...


Proc Natl Acad Sci U S A 104: 13192-7 (2007)


Article DOI: 10.1073/pnas.0705637104
BindingDB Entry DOI: 10.7270/Q2V1232M
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18430
PNG
(4-methyl-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-...)
Show SMILES CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
Show InChI InChI=1S/C22H29N3O2/c1-15-3-5-17(6-4-15)22(26)23-18-7-8-20-19(14-18)16(2)13-21(24-20)25-9-11-27-12-10-25/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,23,26)
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56 -40.8 63n/an/an/an/a5.921



NIH



Assay Description
Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...


Proc Natl Acad Sci U S A 104: 13192-7 (2007)


Article DOI: 10.1073/pnas.0705637104
BindingDB Entry DOI: 10.7270/Q2V1232M
More data for this
Ligand-Target Pair
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