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PubMed code 22280402

Compile data set for download or QSAR
Found 12 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
Androgen receptor


(Homo sapiens (Human))		BDBM50420542
PNG
(CHEMBL2086965)
Show SMILES Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
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n/an/a 1.33E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a...

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50420539
PNG
(CHEMBL2086966)
Show SMILES Oc1cc2ccccc2cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C22H16N2O3/c25-20-11-16-7-3-1-5-14(16)9-18(20)13-23-24-22(27)19-10-15-6-2-4-8-17(15)12-21(19)26/h1-13,25-26H,(H,24,27)/b23-13+
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n/an/a 1.59E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a...

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50420541
PNG
(CHEMBL2086967)
Show SMILES CCCOc1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1
Show InChI InChI=1S/C23H20N2O3/c1-2-13-27-18-10-7-16(8-11-18)15-24-25-23(26)22-14-20-19-6-4-3-5-17(19)9-12-21(20)28-22/h3-12,14-15H,2,13H2,1H3,(H,25,26)/b24-15+
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n/an/a 1.79E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a...

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50420542
PNG
(CHEMBL2086965)
Show SMILES Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
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n/an/a 2.25E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at PR assessed as inhibition of progesterone-induced fluorescent labelled SRC1-4 recruitment after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50420540
PNG
(CHEMBL2086964)
Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
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n/an/a 2.63E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a...

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50420540
PNG
(CHEMBL2086964)
Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
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n/an/a 2.77E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at PR assessed as inhibition of progesterone-induced fluorescent labelled SRC1-4 recruitment after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50420542
PNG
(CHEMBL2086965)
Show SMILES Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled SRC1-4 from dexamethasone-GR complex after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50420542
PNG
(CHEMBL2086965)
Show SMILES Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERbeta complex after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50420540
PNG
(CHEMBL2086964)
Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERalpha complex after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50420540
PNG
(CHEMBL2086964)
Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERbeta complex after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50420542
PNG
(CHEMBL2086965)
Show SMILES Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERalpha complex after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50420540
PNG
(CHEMBL2086964)
Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescent labelled SRC1-4 from dexamethasone-GR complex after 2 to 4 hrs by TR-FRET assay

J Med Chem 55: 1635-44 (2012)


Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%