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PubMed code 18722119

Compile data set for download or QSAR
Found 55 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
Progesterone 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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n/an/a 0.200n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
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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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))		BDBM50264285
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-2-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(18-4-3-9-26-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-25-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264310
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(24)11-25-20/h3-9,12H,11H2,1-2H3,(H,22,24)
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264284
PNG
(5-(5-methyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-tetrah...)
Show SMILES CC1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1
Show InChI InChI=1S/C19H15N3O2S/c1-19(17-3-2-8-25-17)14-9-12(15-7-5-13(10-20)21-15)4-6-16(14)22-18(23)11-24-19/h2-9,21H,11H2,1H3,(H,22,23)
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n/an/a 3.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264352
PNG
(5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenz...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 6.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Androgen 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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n/an/a 6.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264432
PNG
(5-((5R)-5-ethyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES CC[C@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1 |r|
Show InChI InChI=1S/C20H17N3O2S/c1-2-20(18-4-3-9-26-18)15-10-13(16-8-6-14(11-21)22-16)5-7-17(15)23-19(24)12-25-20/h3-10,22H,2,12H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264251
PNG
(5-(5,5-dimethyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1...)
Show SMILES CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
Show InChI InChI=1S/C16H15N3O2/c1-16(2)12-7-10(13-6-4-11(8-17)18-13)3-5-14(12)19-15(20)9-21-16/h3-7,18H,9H2,1-2H3,(H,19,20)
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n/an/a 10.7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264351
PNG
(1-methyl-5-(2-oxo-5,5-di(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 11.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264353
PNG
(1-methyl-5-(2-oxo-5,5-diphenyl-1,2,3,5-tetrahydrob...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccccc3)(c3ccccc3)c2c1)C#N
Show InChI InChI=1S/C27H21N3O2/c1-30-22(17-28)13-15-25(30)19-12-14-24-23(16-19)27(32-18-26(31)29-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,18H2,1H3,(H,29,31)
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n/an/a 14.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264312
PNG
(5-(5-ethyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-tetrahy...)
Show SMILES CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
Show InChI InChI=1S/C21H19N3O2S/c1-3-21(19-5-4-10-27-19)16-11-14(18-9-7-15(12-22)24(18)2)6-8-17(16)23-20(25)13-26-21/h4-11H,3,13H2,1-2H3,(H,23,25)
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n/an/a 14.6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264431
PNG
(5-((5S)-5-ethyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES CC[C@@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1 |r|
Show InChI InChI=1S/C20H17N3O2S/c1-2-20(18-4-3-9-26-18)15-10-13(16-8-6-14(11-21)22-16)5-7-17(15)23-19(24)12-25-20/h3-10,22H,2,12H2,1H3,(H,23,24)/t20-/m0/s1
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n/an/a 17.1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264352
PNG
(5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenz...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 28.4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264353
PNG
(1-methyl-5-(2-oxo-5,5-diphenyl-1,2,3,5-tetrahydrob...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccccc3)(c3ccccc3)c2c1)C#N
Show InChI InChI=1S/C27H21N3O2/c1-30-22(17-28)13-15-25(30)19-12-14-24-23(16-19)27(32-18-26(31)29-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,18H2,1H3,(H,29,31)
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n/an/a 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264314
PNG
(5-(5-isopropyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-tet...)
Show SMILES CC(C)C1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
Show InChI InChI=1S/C22H21N3O2S/c1-14(2)22(20-5-4-10-28-20)17-11-15(19-9-7-16(12-23)25(19)3)6-8-18(17)24-21(26)13-27-22/h4-11,14H,13H2,1-3H3,(H,24,26)
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n/an/a 36.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264313
PNG
(1-methyl-5-(2-oxo-5-propyl-5-(thiophen-2-yl)-1,2,3...)
Show SMILES CCCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
Show InChI InChI=1S/C22H21N3O2S/c1-3-10-22(20-5-4-11-28-20)17-12-15(19-9-7-16(13-23)25(19)2)6-8-18(17)24-21(26)14-27-22/h4-9,11-12H,3,10,14H2,1-2H3,(H,24,26)
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n/an/a 56.6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264351
PNG
(1-methyl-5-(2-oxo-5,5-di(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264312
PNG
(5-(5-ethyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-tetrahy...)
Show SMILES CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
Show InChI InChI=1S/C21H19N3O2S/c1-3-21(19-5-4-10-27-19)16-11-14(18-9-7-15(12-22)24(18)2)6-8-17(16)23-20(25)13-26-21/h4-11H,3,13H2,1-2H3,(H,23,25)
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n/an/a 75n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264383
PNG
(5-(5-ethyl-1-methyl-2-oxo-5-(thiophen-2-yl)-1,2,3,...)
Show SMILES CCC1(OCC(=O)N(C)c2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
Show InChI InChI=1S/C22H21N3O2S/c1-4-22(20-6-5-11-28-20)17-12-15(18-10-8-16(13-23)24(18)2)7-9-19(17)25(3)21(26)14-27-22/h5-12H,4,14H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50264311
PNG
(5-(5-(furan-2-yl)-5-methyl-2-oxo-1,2,3,5-tetrahydr...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O3/c1-20(18-4-3-9-25-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-26-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/a 120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50264310
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(24)11-25-20/h3-9,12H,11H2,1-2H3,(H,22,24)
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n/an/a 127n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50264311
PNG
(5-(5-(furan-2-yl)-5-methyl-2-oxo-1,2,3,5-tetrahydr...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O3/c1-20(18-4-3-9-25-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-26-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/a 155n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264381
PNG
(5-(5,5-bis(3-chlorophenyl)-2-oxo-1,2,3,5-tetrahydr...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccc(Cl)c3)(c3cccc(Cl)c3)c2c1)C#N
Show InChI InChI=1S/C27H19Cl2N3O2/c1-32-22(15-30)9-11-25(32)17-8-10-24-23(12-17)27(34-16-26(33)31-24,18-4-2-6-20(28)13-18)19-5-3-7-21(29)14-19/h2-14H,16H2,1H3,(H,31,33)
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n/an/a 175n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264354
PNG
(5-(5,5-bis(5-chlorothiophen-2-yl)-2-oxo-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1)C#N
Show InChI InChI=1S/C23H15Cl2N3O2S2/c1-28-14(11-26)3-5-17(28)13-2-4-16-15(10-13)23(30-12-22(29)27-16,18-6-8-20(24)31-18)19-7-9-21(25)32-19/h2-10H,12H2,1H3,(H,27,29)
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n/an/a 197n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50264311
PNG
(5-(5-(furan-2-yl)-5-methyl-2-oxo-1,2,3,5-tetrahydr...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O3/c1-20(18-4-3-9-25-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-26-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/a 215n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50264310
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(24)11-25-20/h3-9,12H,11H2,1-2H3,(H,22,24)
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n/an/a 325n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50264310
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(24)11-25-20/h3-9,12H,11H2,1-2H3,(H,22,24)
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n/an/a 440n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264384
PNG
(1-methyl-5-(1-methyl-2-oxo-5,5-diphenyl-1,2,3,5-te...)
Show SMILES CN1c2ccc(cc2C(OCC1=O)(c1ccccc1)c1ccccc1)-c1ccc(C#N)n1C
Show InChI InChI=1S/C28H23N3O2/c1-30-23(18-29)14-16-25(30)20-13-15-26-24(17-20)28(21-9-5-3-6-10-21,22-11-7-4-8-12-22)33-19-27(32)31(26)2/h3-17H,19H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Mineralocorticoid 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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n/an/a 590n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50264352
PNG
(5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenz...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 740n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50264351
PNG
(1-methyl-5-(2-oxo-5,5-di(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 775n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50264351
PNG
(1-methyl-5-(2-oxo-5,5-di(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50264352
PNG
(5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenz...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50264351
PNG
(1-methyl-5-(2-oxo-5,5-di(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50264352
PNG
(5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenz...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50264311
PNG
(5-(5-(furan-2-yl)-5-methyl-2-oxo-1,2,3,5-tetrahydr...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O3/c1-20(18-4-3-9-25-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-26-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50264351
PNG
(1-methyl-5-(2-oxo-5,5-di(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-29-20,21-5-3-11-30-21)28-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50264310
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(24)11-25-20/h3-9,12H,11H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50264352
PNG
(5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenz...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264251
PNG
(5-(5,5-dimethyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1...)
Show SMILES CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
Show InChI InChI=1S/C16H15N3O2/c1-16(2)12-7-10(13-6-4-11(8-17)18-13)3-5-14(12)19-15(20)9-21-16/h3-7,18H,9H2,1-2H3,(H,19,20)
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n/an/an/an/a 3.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264283
PNG
(5-(2-oxo-2,3-dihydro-1H-spiro[4,1-benzoxazepine-5,...)
Show SMILES O=C1COC2(CCCCC2)c2cc(ccc2N1)-c1ccc([nH]1)C#N
Show InChI InChI=1S/C19H19N3O2/c20-11-14-5-7-16(21-14)13-4-6-17-15(10-13)19(8-2-1-3-9-19)24-12-18(23)22-17/h4-7,10,21H,1-3,8-9,12H2,(H,22,23)
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n/an/an/an/a 30.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264286
PNG
(5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3,5-tetrah...)
Show SMILES CC1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1
Show InChI InChI=1S/C19H15N3O2S/c1-19(13-6-7-25-11-13)15-8-12(16-5-3-14(9-20)21-16)2-4-17(15)22-18(23)10-24-19/h2-8,11,21H,10H2,1H3,(H,22,23)
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n/an/an/an/a 1.10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264284
PNG
(5-(5-methyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-tetrah...)
Show SMILES CC1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1
Show InChI InChI=1S/C19H15N3O2S/c1-19(17-3-2-8-25-17)14-9-12(15-7-5-13(10-20)21-15)4-6-16(14)22-18(23)11-24-19/h2-9,21H,11H2,1H3,(H,22,23)
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n/an/an/an/a 0.700n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264429
PNG
(5-((5S)-5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3,5-t...)
Show SMILES C[C@@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1 |r|
Show InChI InChI=1S/C19H15N3O2S/c1-19(13-6-7-25-11-13)15-8-12(16-5-3-14(9-20)21-16)2-4-17(15)22-18(23)10-24-19/h2-8,11,21H,10H2,1H3,(H,22,23)/t19-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264311
PNG
(5-(5-(furan-2-yl)-5-methyl-2-oxo-1,2,3,5-tetrahydr...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O3/c1-20(18-4-3-9-25-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-26-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/an/an/a 0.400n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264310
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(24)11-25-20/h3-9,12H,11H2,1-2H3,(H,22,24)
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n/an/an/an/a 0.800n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264282
PNG
(5-(5,5-dimethyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(C)c2c1)C#N
Show InChI InChI=1S/C17H17N3O2/c1-17(2)13-8-11(15-7-5-12(9-18)20(15)3)4-6-14(13)19-16(21)10-22-17/h4-8H,10H2,1-3H3,(H,19,21)
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n/an/an/an/a 3.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264285
PNG
(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-2-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(18-4-3-9-26-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-25-20/h3-10H,12H2,1-2H3,(H,22,24)
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n/an/an/an/a 0.800n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264249
PNG
(5-(5-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]o...)
Show SMILES CC1OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
Show InChI InChI=1S/C15H13N3O2/c1-9-12-6-10(13-5-3-11(7-16)17-13)2-4-14(12)18-15(19)8-20-9/h2-6,9,17H,8H2,1H3,(H,18,19)
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n/an/an/an/a 246n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264430
PNG
(5-((5R)-5-methyl-2-oxo-5-(thiophen-3-yl)-1,2,3,5-t...)
Show SMILES C[C@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1 |r|
Show InChI InChI=1S/C19H15N3O2S/c1-19(13-6-7-25-11-13)15-8-12(16-5-3-14(9-20)21-16)2-4-17(15)22-18(23)10-24-19/h2-8,11,21H,10H2,1H3,(H,22,23)/t19-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264250
PNG
(1-methyl-5-(5-methyl-2-oxo-1,2,3,5-tetrahydrobenzo...)
Show SMILES CC1OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C16H15N3O2/c1-10-13-7-11(15-6-4-12(8-17)19(15)2)3-5-14(13)18-16(20)9-21-10/h3-7,10H,9H2,1-2H3,(H,18,20)
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n/an/an/an/a 138n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50144438
PNG
(5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)OC(C)(C)c2c1)C#N
Show InChI InChI=1S/C16H15N3O2/c1-16(2)12-8-10(4-6-13(12)18-15(20)21-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,20)
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n/an/an/an/a 1.10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50264382
PNG
(5-(1,5-dimethyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-te...)
Show SMILES CN1c2ccc(cc2C(C)(OCC1=O)c1cccs1)-c1ccc(C#N)n1C
Show InChI InChI=1S/C21H19N3O2S/c1-21(19-5-4-10-27-19)16-11-14(17-9-7-15(12-22)23(17)2)6-8-18(16)24(3)20(25)13-26-21/h4-11H,13H2,1-3H3
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n/an/an/an/a 37.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells

Bioorg Med Chem Lett 18: 5015-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.015
BindingDB Entry DOI: 10.7270/Q25B03D7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%