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Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'lockey' and Initial = 'pm'   
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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012544
PNG
(CHEMBL3260768)
Show SMILES Cc1oc(cc1CNc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C27H24F2N2O5S/c1-17-5-3-4-6-25(17)37(33,34)31-26(32)24-15-21(18(2)35-24)16-30-22-11-7-19(8-12-22)20-9-13-23(14-10-20)36-27(28)29/h3-15,27,30H,16H2,1-2H3,(H,31,32)
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0.300n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012543
PNG
(CHEMBL3260767)
Show SMILES Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(COc2ccc(cc2)-c2ccc(OC(F)F)cc2)c(C)o1
Show InChI InChI=1S/C25H22F2N2O7S/c1-14-23(16(3)36-28-14)37(31,32)29-24(30)22-12-19(15(2)34-22)13-33-20-8-4-17(5-9-20)18-6-10-21(11-7-18)35-25(26)27/h4-12,25H,13H2,1-3H3,(H,29,30)
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0.600n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012502
PNG
(CHEMBL3260457)
Show SMILES Cc1oc(cc1COc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H21F2NO6S/c1-17-20(15-24(34-17)25(30)29-36(31,32)23-5-3-2-4-6-23)16-33-21-11-7-18(8-12-21)19-9-13-22(14-10-19)35-26(27)28/h2-15,26H,16H2,1H3,(H,29,30)
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1.30n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012532
PNG
(CHEMBL3260463)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H24N2O7S/c1-15-24(17(3)34-26-15)35(29,30)27-25(28)23-13-20(16(2)33-23)14-32-22-11-7-19(8-12-22)18-5-9-21(31-4)10-6-18/h5-13H,14H2,1-4H3,(H,27,28)
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1.30n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012542
PNG
(CHEMBL3260766)
Show SMILES Cc1oc(cc1CNc1ccc(cc1)-c1ccccc1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C26H24N2O4S/c1-18-8-6-7-11-25(18)33(30,31)28-26(29)24-16-22(19(2)32-24)17-27-23-14-12-21(13-15-23)20-9-4-3-5-10-20/h3-16,27H,17H2,1-2H3,(H,28,29)
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2n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221149
PNG
(8a-(4-(pyridin-4-yl)benzyl)-2-(4-tert-butylphenyls...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)-c2ccncc2)C1 |t:17|
Show InChI InChI=1S/C31H34N2O3S/c1-30(2,3)26-8-10-29(11-9-26)37(35,36)33-19-15-27-20-28(34)12-16-31(27,22-33)21-23-4-6-24(7-5-23)25-13-17-32-18-14-25/h4-11,13-14,17-18,20H,12,15-16,19,21-22H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012545
PNG
(BGC-201531 | CHEMBL1628698)
Show SMILES COc1ccc(nc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C26H24N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-15H,16H2,1-3H3,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012534
PNG
(CHEMBL3260758)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C27H25NO6S/c1-19-23(16-26(34-19)27(29)28-35(30,31)18-20-6-4-3-5-7-20)17-33-25-14-10-22(11-15-25)21-8-12-24(32-2)13-9-21/h3-16H,17-18H2,1-2H3,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012548
PNG
(CHEMBL3260771)
Show SMILES [Na+].COc1ccc(nc1)-c1ccc(OCc2cc(oc2C)C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C26H24N2O6S.Na/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23;/h4-15H,16H2,1-3H3,(H,28,29);/q;+1/p-1
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3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012533
PNG
(CHEMBL3260757)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H21NO6S2/c1-16-19(14-22(31-16)24(26)25-33(27,28)23-4-3-13-32-23)15-30-21-11-7-18(8-12-21)17-5-9-20(29-2)10-6-17/h3-14H,15H2,1-2H3,(H,25,26)
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3.60n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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4n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221153
PNG
((R)-8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulf...)
Show SMILES COc1ccc(C[C@]23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3/t27-/m0/s1
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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 glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221173
PNG
((R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CC[C@]2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C26H31NO3S/c1-25(2,3)21-9-11-24(12-10-21)31(29,30)27-16-14-22-17-23(28)13-15-26(22,19-27)18-20-7-5-4-6-8-20/h4-12,17H,13-16,18-19H2,1-3H3/t26-/m0/s1
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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 glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216485
PNG
(5-benzyl-6-(4-(3-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H2,24,25,27,28)
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4.90n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221180
PNG
(8a-(4-fluorobenzyl)-2-(4-tert-butylphenylsulfonyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(F)cc2)C1 |t:17|
Show InChI InChI=1S/C26H30FNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3
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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 glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012501
PNG
(CHEMBL3260456)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H23NO6S/c1-18-21(16-25(33-18)26(28)27-34(29,30)24-6-4-3-5-7-24)17-32-23-14-10-20(11-15-23)19-8-12-22(31-2)13-9-19/h3-16H,17H2,1-2H3,(H,27,28)
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5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012530
PNG
(CHEMBL3260461)
Show SMILES CCCS(=O)(=O)NC(=O)c1cc(COc2ccc(cc2)-c2ccc(OC)cc2)c(C)o1
Show InChI InChI=1S/C23H25NO6S/c1-4-13-31(26,27)24-23(25)22-14-19(16(2)30-22)15-29-21-11-7-18(8-12-21)17-5-9-20(28-3)10-6-17/h5-12,14H,4,13,15H2,1-3H3,(H,24,25)
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5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221170
PNG
(8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulfonyl...)
Show SMILES COc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:12|
Show InChI InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216493
PNG
(5-benzyl-6-(3-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCCC(C2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(14-16-8-3-1-4-9-16)20(23-22(27)24-21)25-13-7-12-18(15-25)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H2,23,24,26,27)
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6.5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012549
PNG
(CHEMBL3260772)
Show SMILES CC(C(=O)Nc1ccccc1Cc1ccccc1C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)
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7n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216480
PNG
(5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1ccccc1C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-20-10-6-5-9-18(20)17-11-13-26(14-12-17)21-19(22(27)25-23(28)24-21)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,24,25,27,28)
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7.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
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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8.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216488
PNG
(5-(2-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-19-9-5-4-8-17(19)14-18-20(24-22(28)25-21(18)27)26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,24,25,27,28)
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8.70n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221156
PNG
(8a-(4-(piperidin-1-yl)benzyl)-2-(4-tert-butylpheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCCCC2)C1 |t:17|
Show InChI InChI=1S/C31H40N2O3S/c1-30(2,3)25-9-13-29(14-10-25)37(35,36)33-20-16-26-21-28(34)15-17-31(26,23-33)22-24-7-11-27(12-8-24)32-18-5-4-6-19-32/h7-14,21H,4-6,15-20,22-23H2,1-3H3
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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 glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221188
PNG
(8a-(4-bromobenzyl)-2-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(Br)cc2)C1 |t:17|
Show InChI InChI=1S/C26H30BrNO3S/c1-25(2,3)20-6-10-24(11-7-20)32(30,31)28-15-13-21-16-23(29)12-14-26(21,18-28)17-19-4-8-22(27)9-5-19/h4-11,16H,12-15,17-18H2,1-3H3
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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 glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216474
PNG
(5-(3-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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9.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216479
PNG
(5-benzyl-6-(4-(3-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-19-9-5-8-18(15-19)17-10-12-26(13-11-17)21-20(22(27)25-23(28)24-21)14-16-6-3-2-4-7-16/h2-9,15,17H,10-14H2,1H3,(H2,24,25,27,28)
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9.20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221164
PNG
(8a-(4-morpholinobenzyl)-2-(4-tert-butylphenylsulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCOCC2)C1 |t:17|
Show InChI InChI=1S/C30H38N2O4S/c1-29(2,3)24-6-10-28(11-7-24)37(34,35)32-15-13-25-20-27(33)12-14-30(25,22-32)21-23-4-8-26(9-5-23)31-16-18-36-19-17-31/h4-11,20H,12-19,21-22H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012531
PNG
(CHEMBL3260462)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H23NO7S/c1-17-20(15-25(34-17)26(29)27-35(30,31)24-13-7-21(28)8-14-24)16-33-23-11-5-19(6-12-23)18-3-9-22(32-2)10-4-18/h3-15,28H,16H2,1-2H3,(H,27,29)
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11n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221157
PNG
(CHEMBL247815 | N-(4-((2-(4-tert-butylphenylsulfony...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(NS(C)(=O)=O)cc2)C1 |t:17|
Show InChI InChI=1S/C27H34N2O5S2/c1-26(2,3)21-7-11-25(12-8-21)36(33,34)29-16-14-22-17-24(30)13-15-27(22,19-29)18-20-5-9-23(10-6-20)28-35(4,31)32/h5-12,17,28H,13-16,18-19H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012546
PNG
(CHEMBL3260769)
Show SMILES COc1ccc(nc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2c(C)noc2C)cc1
Show InChI InChI=1S/C24H23N3O7S/c1-14-23(16(3)34-26-14)35(29,30)27-24(28)22-11-18(15(2)33-22)13-32-19-7-5-17(6-8-19)21-10-9-20(31-4)12-25-21/h5-12H,13H2,1-4H3,(H,27,28)
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13n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221175
PNG
(2-[(4-tert-butylbenzene)sulfonyl]-8a-({4-[(dimethy...)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:17|
Show InChI InChI=1S/C28H37N3O5S2/c1-27(2,3)22-8-12-26(13-9-22)37(33,34)31-17-15-23-18-25(32)14-16-28(23,20-31)19-21-6-10-24(11-7-21)29-38(35,36)30(4)5/h6-13,18,29H,14-17,19-20H2,1-5H3
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13n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221158
PNG
(8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1 |t:17|
Show InChI InChI=1S/C26H31NO3S/c1-25(2,3)21-9-11-24(12-10-21)31(29,30)27-16-14-22-17-23(28)13-15-26(22,19-27)18-20-7-5-4-6-8-20/h4-12,17H,13-16,18-19H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216494
PNG
(5-(3-bromobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Brc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22BrN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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14n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012541
PNG
(CHEMBL3260765)
Show SMILES Cc1oc(cc1CNc1ccc(cc1)-c1ccccc1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H22N2O4S/c1-18-21(17-26-22-14-12-20(13-15-22)19-8-4-2-5-9-19)16-24(31-18)25(28)27-32(29,30)23-10-6-3-7-11-23/h2-16,26H,17H2,1H3,(H,27,28)
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14n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50221177
PNG
(8a-(4-(dimethylamino)benzyl)-2-(4-tert-butylphenyl...)
Show SMILES CN(C)c1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1 |c:13|
Show InChI InChI=1S/C28H36N2O3S/c1-27(2,3)22-8-12-26(13-9-22)34(32,33)30-17-15-23-18-25(31)14-16-28(23,20-30)19-21-6-10-24(11-7-21)29(4)5/h6-13,18H,14-17,19-20H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012539
PNG
(CHEMBL3260763)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccc(C)cn2)cc1
Show InChI InChI=1S/C26H24N2O6S/c1-17-4-13-25(27-15-17)35(30,31)28-26(29)24-14-21(18(2)34-24)16-33-23-11-7-20(8-12-23)19-5-9-22(32-3)10-6-19/h4-15H,16H2,1-3H3,(H,28,29)
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15n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216476
PNG
(5-(3-chlorobenzyl)-6-(4-benzylpiperidin-1-yl)-3-me...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(29)21(16-19-8-5-9-20(25)15-19)22(26-24(27)30)28-12-10-18(11-13-28)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,26,30)
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16n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216482
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H25N3O2/c27-22-20(16-18-9-5-2-6-10-18)21(24-23(28)25-22)26-13-11-19(12-14-26)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,24,25,27,28)
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19n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315314
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...)
Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
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19n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine human recombinant histamine H4 receptor


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012511
PNG
(CHEMBL3260459)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H23NO6S/c1-18(29)20-8-10-21(11-9-20)22-12-14-24(15-13-22)33-17-23-16-26(34-19(23)2)27(30)28-35(31,32)25-6-4-3-5-7-25/h3-16H,17H2,1-2H3,(H,28,30)
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20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012486
PNG
(CHEMBL3260443)
Show SMILES Cc1oc(cc1COc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(O)=O
Show InChI InChI=1S/C20H16F2O5/c1-12-15(10-18(26-12)19(23)24)11-25-16-6-2-13(3-7-16)14-4-8-17(9-5-14)27-20(21)22/h2-10,20H,11H2,1H3,(H,23,24)
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20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216489
PNG
(5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-25-22(27)20(16-17-8-4-2-5-9-17)21(24-23(25)28)26-14-12-19(13-15-26)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,24,28)
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20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012535
PNG
(CHEMBL3260759)
Show SMILES COc1ccc(c(C)c1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H25NO6S/c1-18-15-23(32-3)13-14-25(18)20-9-11-22(12-10-20)33-17-21-16-26(34-19(21)2)27(29)28-35(30,31)24-7-5-4-6-8-24/h4-16H,17H2,1-3H3,(H,28,29)
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21n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012503
PNG
(CHEMBL3260458)
Show SMILES COc1ccc(nc1)-c1ccc(OCc2cc(oc2C)C(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O6S/c1-17-19(14-24(33-17)25(28)27-34(29,30)22-6-4-3-5-7-22)16-32-20-10-8-18(9-11-20)23-13-12-21(31-2)15-26-23/h3-15H,16H2,1-2H3,(H,27,28)
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22n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
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