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PubMed code 23958516

Compile data set for download or QSAR
Found 61 hits of Enzyme Inhibition Constant Data   
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
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439608
PNG
(CHEMBL2419300)
Show SMILES CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14ClFN2O3/c1-9-16(17(19(25)22-9)10-2-4-12(21)5-3-10)11-6-13(20)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439613
PNG
(CHEMBL2419295)
Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)
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n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439607
PNG
(CHEMBL2419301)
Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 43n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439614
PNG
(CHEMBL2419309)
Show SMILES CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H17FN2O3/c1-11-18(13-5-8-16-15(9-13)22-17(24)10-26-16)19(20(25)23(11)2)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,24)
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n/an/a 61n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439612
PNG
(CHEMBL2419296)
Show SMILES CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H19FN2O3/c1-12-20(14-4-9-18-17(10-14)24-19(26)11-28-18)21(13-2-5-15(23)6-3-13)22(27)25(12)16-7-8-16/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,24,26)
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n/an/a 68n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439607
PNG
(CHEMBL2419301)
Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 83n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at MR (unknown origin) expressed in COS1 cells after 1 day by luciferase reporter gene assay

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439609
PNG
(CHEMBL2419299)
Show SMILES CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14F2N2O3/c1-9-16(17(19(25)22-9)10-2-4-12(20)5-3-10)11-6-13(21)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a 92n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439610
PNG
(CHEMBL2419298)
Show SMILES CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H15FN2O3/c1-10-17(12-4-7-15-14(8-12)22-16(23)9-25-15)18(19(24)21-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
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n/an/a 94n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439617
PNG
(CHEMBL2419306)
Show SMILES CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14FNO4/c1-10-17(12-4-7-15-14(8-12)21-16(22)9-24-15)18(19(23)25-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)
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n/an/a 120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439614
PNG
(CHEMBL2419309)
Show SMILES CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H17FN2O3/c1-11-18(13-5-8-16-15(9-13)22-17(24)10-26-16)19(20(25)23(11)2)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,24)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439612
PNG
(CHEMBL2419296)
Show SMILES CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H19FN2O3/c1-12-20(14-4-9-18-17(10-14)24-19(26)11-28-18)21(13-2-5-15(23)6-3-13)22(27)25(12)16-7-8-16/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,24,26)
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n/an/a 400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439606
PNG
(CHEMBL2419302)
Show SMILES Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
Show InChI InChI=1S/C18H12FNO4/c19-12-4-1-10(2-5-12)17-13(8-24-18(17)22)11-3-6-15-14(7-11)20-16(21)9-23-15/h1-7H,8-9H2,(H,20,21)
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n/an/a 500n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439616
PNG
(CHEMBL2419307)
Show SMILES CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C19H13F2NO4/c1-19(21)17(11-4-7-14-13(8-11)22-15(23)9-25-14)16(18(24)26-19)10-2-5-12(20)6-3-10/h2-8H,9H2,1H3,(H,22,23)
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n/an/a 550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439620
PNG
(CHEMBL2419303)
Show SMILES Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
Show InChI InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)
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n/an/a 660n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))		BDBM50439617
PNG
(CHEMBL2419306)
Show SMILES CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14FNO4/c1-10-17(12-4-7-15-14(8-12)21-16(22)9-24-15)18(19(23)25-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)
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n/an/a 740n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439619
PNG
(CHEMBL2419304)
Show SMILES Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
Show InChI InChI=1S/C19H14FNO4/c1-10-6-12(20)3-4-13(10)18-14(8-25-19(18)23)11-2-5-16-15(7-11)21-17(22)9-24-16/h2-7H,8-9H2,1H3,(H,21,22)
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n/an/a 750n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439613
PNG
(CHEMBL2419295)
Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)
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n/an/a 770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439618
PNG
(CHEMBL2419305)
Show SMILES CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-20(2)18(12-5-8-15-14(9-12)22-16(23)10-25-15)17(19(24)26-20)11-3-6-13(21)7-4-11/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439608
PNG
(CHEMBL2419300)
Show SMILES CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14ClFN2O3/c1-9-16(17(19(25)22-9)10-2-4-12(21)5-3-10)11-6-13(20)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439618
PNG
(CHEMBL2419305)
Show SMILES CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-20(2)18(12-5-8-15-14(9-12)22-16(23)10-25-15)17(19(24)26-20)11-3-6-13(21)7-4-11/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439615
PNG
(CHEMBL2419308)
Show SMILES CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-2-15-18(12-5-8-16-14(9-12)22-17(23)10-25-16)19(20(24)26-15)11-3-6-13(21)7-4-11/h3-9,15H,2,10H2,1H3,(H,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439613
PNG
(CHEMBL2419295)
Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439608
PNG
(CHEMBL2419300)
Show SMILES CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14ClFN2O3/c1-9-16(17(19(25)22-9)10-2-4-12(21)5-3-10)11-6-13(20)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50439611
PNG
(CHEMBL2419297)
Show SMILES CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
Show InChI InChI=1S/C21H19FN2O4/c1-12-19(14-4-7-17-16(10-14)23-18(26)11-28-17)20(21(27)24(12)8-9-25)13-2-5-15(22)6-3-13/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439619
PNG
(CHEMBL2419304)
Show SMILES Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
Show InChI InChI=1S/C19H14FNO4/c1-10-6-12(20)3-4-13(10)18-14(8-25-19(18)23)11-2-5-16-15(7-11)21-17(22)9-24-16/h2-7H,8-9H2,1H3,(H,21,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439615
PNG
(CHEMBL2419308)
Show SMILES CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-2-15-18(12-5-8-16-14(9-12)22-17(23)10-25-16)19(20(24)26-15)11-3-6-13(21)7-4-11/h3-9,15H,2,10H2,1H3,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439614
PNG
(CHEMBL2419309)
Show SMILES CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H17FN2O3/c1-11-18(13-5-8-16-15(9-13)22-17(24)10-26-16)19(20(25)23(11)2)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439615
PNG
(CHEMBL2419308)
Show SMILES CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-2-15-18(12-5-8-16-14(9-12)22-17(23)10-25-16)19(20(24)26-15)11-3-6-13(21)7-4-11/h3-9,15H,2,10H2,1H3,(H,22,23)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439612
PNG
(CHEMBL2419296)
Show SMILES CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H19FN2O3/c1-12-20(14-4-9-18-17(10-14)24-19(26)11-28-18)21(13-2-5-15(23)6-3-13)22(27)25(12)16-7-8-16/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,24,26)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439609
PNG
(CHEMBL2419299)
Show SMILES CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14F2N2O3/c1-9-16(17(19(25)22-9)10-2-4-12(20)5-3-10)11-6-13(21)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439617
PNG
(CHEMBL2419306)
Show SMILES CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14FNO4/c1-10-17(12-4-7-15-14(8-12)21-16(22)9-24-15)18(19(23)25-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439620
PNG
(CHEMBL2419303)
Show SMILES Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
Show InChI InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439618
PNG
(CHEMBL2419305)
Show SMILES CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-20(2)18(12-5-8-15-14(9-12)22-16(23)10-25-15)17(19(24)26-20)11-3-6-13(21)7-4-11/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439607
PNG
(CHEMBL2419301)
Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439616
PNG
(CHEMBL2419307)
Show SMILES CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C19H13F2NO4/c1-19(21)17(11-4-7-14-13(8-11)22-15(23)9-25-14)16(18(24)26-19)10-2-5-12(20)6-3-10/h2-8H,9H2,1H3,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439609
PNG
(CHEMBL2419299)
Show SMILES CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14F2N2O3/c1-9-16(17(19(25)22-9)10-2-4-12(20)5-3-10)11-6-13(21)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439610
PNG
(CHEMBL2419298)
Show SMILES CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H15FN2O3/c1-10-17(12-4-7-15-14(8-12)22-16(23)9-25-15)18(19(24)21-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439610
PNG
(CHEMBL2419298)
Show SMILES CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H15FN2O3/c1-10-17(12-4-7-15-14(8-12)22-16(23)9-25-15)18(19(24)21-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439608
PNG
(CHEMBL2419300)
Show SMILES CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14ClFN2O3/c1-9-16(17(19(25)22-9)10-2-4-12(21)5-3-10)11-6-13(20)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439620
PNG
(CHEMBL2419303)
Show SMILES Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
Show InChI InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439606
PNG
(CHEMBL2419302)
Show SMILES Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
Show InChI InChI=1S/C18H12FNO4/c19-12-4-1-10(2-5-12)17-13(8-24-18(17)22)11-3-6-15-14(7-11)20-16(21)9-23-15/h1-7H,8-9H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439619
PNG
(CHEMBL2419304)
Show SMILES Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
Show InChI InChI=1S/C19H14FNO4/c1-10-6-12(20)3-4-13(10)18-14(8-25-19(18)23)11-2-5-16-15(7-11)21-17(22)9-24-16/h2-7H,8-9H2,1H3,(H,21,22)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439607
PNG
(CHEMBL2419301)
Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439619
PNG
(CHEMBL2419304)
Show SMILES Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
Show InChI InChI=1S/C19H14FNO4/c1-10-6-12(20)3-4-13(10)18-14(8-25-19(18)23)11-2-5-16-15(7-11)21-17(22)9-24-16/h2-7H,8-9H2,1H3,(H,21,22)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439610
PNG
(CHEMBL2419298)
Show SMILES CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H15FN2O3/c1-10-17(12-4-7-15-14(8-12)22-16(23)9-25-15)18(19(24)21-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439612
PNG
(CHEMBL2419296)
Show SMILES CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H19FN2O3/c1-12-20(14-4-9-18-17(10-14)24-19(26)11-28-18)21(13-2-5-15(23)6-3-13)22(27)25(12)16-7-8-16/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,24,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439614
PNG
(CHEMBL2419309)
Show SMILES CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H17FN2O3/c1-11-18(13-5-8-16-15(9-13)22-17(24)10-26-16)19(20(25)23(11)2)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439606
PNG
(CHEMBL2419302)
Show SMILES Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
Show InChI InChI=1S/C18H12FNO4/c19-12-4-1-10(2-5-12)17-13(8-24-18(17)22)11-3-6-15-14(7-11)20-16(21)9-23-15/h1-7H,8-9H2,(H,20,21)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439609
PNG
(CHEMBL2419299)
Show SMILES CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14F2N2O3/c1-9-16(17(19(25)22-9)10-2-4-12(20)5-3-10)11-6-13(21)18-14(7-11)23-15(24)8-26-18/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439618
PNG
(CHEMBL2419305)
Show SMILES CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-20(2)18(12-5-8-15-14(9-12)22-16(23)10-25-15)17(19(24)26-20)11-3-6-13(21)7-4-11/h3-9H,10H2,1-2H3,(H,22,23)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439611
PNG
(CHEMBL2419297)
Show SMILES CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
Show InChI InChI=1S/C21H19FN2O4/c1-12-19(14-4-7-17-16(10-14)23-18(26)11-28-17)20(21(27)24(12)8-9-25)13-2-5-15(22)6-3-13/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439615
PNG
(CHEMBL2419308)
Show SMILES CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C20H16FNO4/c1-2-15-18(12-5-8-16-14(9-12)22-17(23)10-25-16)19(20(24)26-15)11-3-6-13(21)7-4-11/h3-9,15H,2,10H2,1H3,(H,22,23)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439607
PNG
(CHEMBL2419301)
Show SMILES CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C20H17FN2O3/c1-10-7-13(8-15-19(10)26-9-16(24)23-15)17-11(2)22-20(25)18(17)12-3-5-14(21)6-4-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439611
PNG
(CHEMBL2419297)
Show SMILES CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
Show InChI InChI=1S/C21H19FN2O4/c1-12-19(14-4-7-17-16(10-14)23-18(26)11-28-17)20(21(27)24(12)8-9-25)13-2-5-15(22)6-3-13/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439611
PNG
(CHEMBL2419297)
Show SMILES CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
Show InChI InChI=1S/C21H19FN2O4/c1-12-19(14-4-7-17-16(10-14)23-18(26)11-28-17)20(21(27)24(12)8-9-25)13-2-5-15(22)6-3-13/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50439606
PNG
(CHEMBL2419302)
Show SMILES Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
Show InChI InChI=1S/C18H12FNO4/c19-12-4-1-10(2-5-12)17-13(8-24-18(17)22)11-3-6-15-14(7-11)20-16(21)9-23-15/h1-7H,8-9H2,(H,20,21)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439616
PNG
(CHEMBL2419307)
Show SMILES CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C19H13F2NO4/c1-19(21)17(11-4-7-14-13(8-11)22-15(23)9-25-14)16(18(24)26-19)10-2-5-12(20)6-3-10/h2-8H,9H2,1H3,(H,22,23)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439617
PNG
(CHEMBL2419306)
Show SMILES CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C19H14FNO4/c1-10-17(12-4-7-15-14(8-12)21-16(22)9-24-15)18(19(23)25-10)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439616
PNG
(CHEMBL2419307)
Show SMILES CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
Show InChI InChI=1S/C19H13F2NO4/c1-19(21)17(11-4-7-14-13(8-11)22-15(23)9-25-14)16(18(24)26-19)10-2-5-12(20)6-3-10/h2-8H,9H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50439620
PNG
(CHEMBL2419303)
Show SMILES Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
Show InChI InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50439613
PNG
(CHEMBL2419295)
Show SMILES CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
Show InChI InChI=1S/C21H19FN2O3/c1-3-24-12(2)19(20(21(24)26)13-4-7-15(22)8-5-13)14-6-9-17-16(10-14)23-18(25)11-27-17/h4-10,12H,3,11H2,1-2H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%