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PubMed code 15978807

Compile data set for download or QSAR
Found 24 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))		BDBM50169361
PNG
(3-(3-Cyclobutyl-2-oxo-2,3-dihydro-1H-benzoimidazol...)
Show SMILES Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(C3CCC3)c2c1)C#N
Show InChI InChI=1S/C18H14FN3O/c19-14-7-11(10-20)6-13(8-14)12-4-5-16-17(9-12)22(18(23)21-16)15-2-1-3-15/h4-9,15H,1-3H2,(H,21,23)
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n/an/a 3.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169346
PNG
(5-(3-Isopropyl-2-oxo-2,3-dihydro-1H-benzoimidazol-...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C16H16N4O/c1-10(2)20-15-8-11(4-6-13(15)18-16(20)21)14-7-5-12(9-17)19(14)3/h4-8,10H,1-3H3,(H,18,21)
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n/an/a 4.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169354
PNG
(5-(3-Cyclopentyl-2-oxo-2,3-dihydro-1H-benzoimidazo...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4O/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/a 5.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169352
PNG
(3-(3-Cyclopentyl-2-oxo-2,3-dihydro-1H-benzoimidazo...)
Show SMILES Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C19H16FN3O/c20-15-8-12(11-21)7-14(9-15)13-5-6-17-18(10-13)23(19(24)22-17)16-3-1-2-4-16/h5-10,16H,1-4H2,(H,22,24)
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n/an/a 5.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219259
PNG
(5-(3-Cyclobutyl-2-oxo-2,3-dihydro-1H-benzoimidazol...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCC3)c2c1)C#N
Show InChI InChI=1S/C17H16N4O/c1-20-13(10-18)6-8-15(20)11-5-7-14-16(9-11)21(17(22)19-14)12-3-2-4-12/h5-9,12H,2-4H2,1H3,(H,19,22)
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n/an/a 10.9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169355
PNG
(1-Methyl-5-(2-oxo-3-pentyl-2,3-dihydro-1H-benzoimi...)
Show SMILES CCCCCn1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H20N4O/c1-3-4-5-10-22-17-11-13(6-8-15(17)20-18(22)23)16-9-7-14(12-19)21(16)2/h6-9,11H,3-5,10H2,1-2H3,(H,20,23)
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n/an/a 11.7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169359
PNG
(5-(3-Isopropyl-2-oxo-2,3-dihydro-1H-benzoimidazol-...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1sc(cc1C)C#N
Show InChI InChI=1S/C16H15N3OS/c1-9(2)19-14-7-11(4-5-13(14)18-16(19)20)15-10(3)6-12(8-17)21-15/h4-7,9H,1-3H3,(H,18,20)
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n/an/a 24.8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169345
PNG
(3-Fluoro-5-(2-oxo-3-pentyl-2,3-dihydro-1H-benzoimi...)
Show SMILES CCCCCn1c2cc(ccc2[nH]c1=O)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C19H18FN3O/c1-2-3-4-7-23-18-11-14(5-6-17(18)22-19(23)24)15-8-13(12-21)9-16(20)10-15/h5-6,8-11H,2-4,7H2,1H3,(H,22,24)
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n/an/a 29n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169340
PNG
(3-Fluoro-5-(3-isopropyl-2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H14FN3O/c1-10(2)21-16-8-12(3-4-15(16)20-17(21)22)13-5-11(9-19)6-14(18)7-13/h3-8,10H,1-2H3,(H,20,22)
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n/an/a 29.6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169358
PNG
(2-Fluoro-5-(3-isopropyl-2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H14FN3O/c1-10(2)21-16-8-12(4-6-15(16)20-17(21)22)11-3-5-14(18)13(7-11)9-19/h3-8,10H,1-2H3,(H,20,22)
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n/an/a 60.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169350
PNG
(6-(3-Fluoro-phenyl)-1-isopropyl-1,3-dihydro-benzoi...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C16H15FN2O/c1-10(2)19-15-9-12(6-7-14(15)18-16(19)20)11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,18,20)
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n/an/a 77.9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169341
PNG
(3-(3-Cyclohexyl-2-oxo-2,3-dihydro-1H-benzoimidazol...)
Show SMILES Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(C3CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H18FN3O/c21-16-9-13(12-22)8-15(10-16)14-6-7-18-19(11-14)24(20(25)23-18)17-4-2-1-3-5-17/h6-11,17H,1-5H2,(H,23,25)
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n/an/a 83.6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169357
PNG
(1-Cyclopentyl-6-(3,4-difluoro-phenyl)-1,3-dihydro-...)
Show SMILES Fc1ccc(cc1F)-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1
Show InChI InChI=1S/C18H16F2N2O/c19-14-7-5-11(9-15(14)20)12-6-8-16-17(10-12)22(18(23)21-16)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,21,23)
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n/an/a 96.8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169344
PNG
(6-(3,5-Dichloro-phenyl)-1-isopropyl-1,3-dihydro-be...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O/c1-9(2)20-15-7-10(3-4-14(15)19-16(20)21)11-5-12(17)8-13(18)6-11/h3-9H,1-2H3,(H,19,21)
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n/an/a 100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169343
PNG
(6-(3-Chloro-4-fluoro-phenyl)-1-isopropyl-1,3-dihyd...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H14ClFN2O/c1-9(2)20-15-8-11(4-6-14(15)19-16(20)21)10-3-5-13(18)12(17)7-10/h3-9H,1-2H3,(H,19,21)
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n/an/a 106n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169348
PNG
(6-(3-Chloro-4-fluoro-phenyl)-1-cyclobutyl-1,3-dihy...)
Show SMILES Fc1ccc(cc1Cl)-c1ccc2[nH]c(=O)n(C3CCC3)c2c1
Show InChI InChI=1S/C17H14ClFN2O/c18-13-8-10(4-6-14(13)19)11-5-7-15-16(9-11)21(17(22)20-15)12-2-1-3-12/h4-9,12H,1-3H2,(H,20,22)
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n/an/a 106n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169342
PNG
(6-(3-Chloro-4-fluoro-phenyl)-1-cyclopentyl-1,3-dih...)
Show SMILES Fc1ccc(cc1Cl)-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1
Show InChI InChI=1S/C18H16ClFN2O/c19-14-9-11(5-7-15(14)20)12-6-8-16-17(10-12)22(18(23)21-16)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,21,23)
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n/an/a 135n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169363
PNG
(3-Fluoro-5-(2-oxo-3-phenyl-2,3-dihydro-1H-benzoimi...)
Show SMILES Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(-c3ccccc3)c2c1)C#N
Show InChI InChI=1S/C20H12FN3O/c21-16-9-13(12-22)8-15(10-16)14-6-7-18-19(11-14)24(20(25)23-18)17-4-2-1-3-5-17/h1-11H,(H,23,25)
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n/an/a 137n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169349
PNG
(1-Cyclobutyl-6-(3,4-difluoro-phenyl)-1,3-dihydro-b...)
Show SMILES Fc1ccc(cc1F)-c1ccc2[nH]c(=O)n(C3CCC3)c2c1
Show InChI InChI=1S/C17H14F2N2O/c18-13-6-4-10(8-14(13)19)11-5-7-15-16(9-11)21(17(22)20-15)12-2-1-3-12/h4-9,12H,1-3H2,(H,20,22)
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n/an/a 175n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169356
PNG
(6-(3,4-Difluoro-phenyl)-1-isopropyl-1,3-dihydro-be...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H14F2N2O/c1-9(2)20-15-8-11(4-6-14(15)19-16(20)21)10-3-5-12(17)13(18)7-10/h3-9H,1-2H3,(H,19,21)
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n/an/a 207n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169347
PNG
(6-(4-Fluoro-phenyl)-1-isopropyl-1,3-dihydro-benzoi...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN2O/c1-10(2)19-15-9-12(5-8-14(15)18-16(19)20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,18,20)
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n/an/a 295n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169362
PNG
(6-(2-Fluoro-phenyl)-1-isopropyl-1,3-dihydro-benzoi...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccccc1F
Show InChI InChI=1S/C16H15FN2O/c1-10(2)19-15-9-11(7-8-14(15)18-16(19)20)12-5-3-4-6-13(12)17/h3-10H,1-2H3,(H,18,20)
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n/an/a 412n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169360
PNG
(6-(3-Chloro-4-fluoro-phenyl)-1-pentyl-1,3-dihydro-...)
Show SMILES CCCCCn1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H18ClFN2O/c1-2-3-4-9-22-17-11-13(6-8-16(17)21-18(22)23)12-5-7-15(20)14(19)10-12/h5-8,10-11H,2-4,9H2,1H3,(H,21,23)
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n/an/a 426n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169353
PNG
(3-[3-(3-Chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzoi...)
Show SMILES Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(-c3cccc(Cl)c3)c2c1)C#N
Show InChI InChI=1S/C20H11ClFN3O/c21-15-2-1-3-17(10-15)25-19-9-13(4-5-18(19)24-20(25)26)14-6-12(11-23)7-16(22)8-14/h1-10H,(H,24,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay

Bioorg Med Chem Lett 15: 3600-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.082
BindingDB Entry DOI: 10.7270/Q23J3CHG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%