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PubMed code 25879485

Compile data set for download or QSAR
Found 60 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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 3n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 6n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a 6.10n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a 8.80n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50169743
PNG
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50169743
PNG
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19442
PNG
(2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...)
Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM19442
PNG
(2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...)
Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysis

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a 990n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone-A receptor (unknown origin) by transcriptional reporter assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone-B receptor (unknown origin) by transcriptional reporter assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by transcriptional reporter assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by transcriptional reporter assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of dopamine transporter (unknown origin) by cell-based assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a>4.00E+3n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090456
PNG
(CHEMBL3581687)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N3O2/c1-2-24(20-8-5-19(16-28)6-9-20)27(22-12-13-25-23(15-22)17-29-30-25)21-10-3-18(4-11-21)7-14-26(31)32/h3-15,17H,2H2,1H3,(H,29,30)(H,31,32)/b14-7+,27-24+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090461
PNG
(CHEMBL3581692)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(cc1Cl)C#N
Show InChI InChI=1S/C27H20ClN3O2/c1-2-22(23-10-5-18(15-29)13-24(23)28)27(20-9-11-25-21(14-20)16-30-31-25)19-7-3-17(4-8-19)6-12-26(32)33/h3-14,16H,2H2,1H3,(H,30,31)(H,32,33)/b12-6+,27-22+
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n/an/an/an/a 0.900n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090467
PNG
(CHEMBL3581637)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]c(=O)oc2c1)c1ccccc1
Show InChI InChI=1S/C26H21NO4/c1-2-21(18-6-4-3-5-7-18)25(19-11-8-17(9-12-19)10-15-24(28)29)20-13-14-22-23(16-20)31-26(30)27-22/h3-16H,2H2,1H3,(H,27,30)(H,28,29)/b15-10+,25-21+
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n/an/an/an/a 23n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090299
PNG
(CHEMBL3581681)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cscc1C
Show InChI InChI=1S/C25H22N2O2S/c1-3-21(22-15-30-14-16(22)2)25(19-9-10-23-20(12-19)13-26-27-23)18-7-4-17(5-8-18)6-11-24(28)29/h4-15H,3H2,1-2H3,(H,26,27)(H,28,29)/b11-6+,25-21+
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n/an/an/an/a 0.5n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090451
PNG
(CHEMBL3581682)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1Cl
Show InChI InChI=1S/C26H21ClN2O2/c1-2-21(22-5-3-4-6-23(22)27)26(19-12-13-24-20(15-19)16-28-29-24)18-10-7-17(8-11-18)9-14-25(30)31/h3-16H,2H2,1H3,(H,28,29)(H,30,31)/b14-9+,26-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090219
PNG
(CHEMBL3581643)
Show SMILES CC\C(=C(/c1ccc2[nH]ncc2c1)c1ccc(\C=C\C(O)=O)cc1C)c1ccccc1
Show InChI InChI=1S/C27H24N2O2/c1-3-23(20-7-5-4-6-8-20)27(21-11-13-25-22(16-21)17-28-29-25)24-12-9-19(15-18(24)2)10-14-26(30)31/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b14-10+,27-23-
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090255
PNG
(CHEMBL3581675)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)nc1)c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,23,25-27H,2-16H2,1H3/t17-/m0/s1
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090458
PNG
(CHEMBL3581689)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C27H24N2O4S/c1-3-22(23-6-4-5-7-25(23)34(2,32)33)27(20-13-14-24-21(16-20)17-28-29-24)19-11-8-18(9-12-19)10-15-26(30)31/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b15-10+,27-22+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50041611
PNG
((2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRY...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-
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n/an/an/an/a 390n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/an/an/a 1.70n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090466
PNG
(CHEMBL3581636)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]c(=O)sc2c1)c1ccccc1
Show InChI InChI=1S/C26H21NO3S/c1-2-21(18-6-4-3-5-7-18)25(19-11-8-17(9-12-19)10-15-24(28)29)20-13-14-22-23(16-20)31-26(30)27-22/h3-16H,2H2,1H3,(H,27,30)(H,28,29)/b15-10+,25-21+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090468
PNG
(CHEMBL3581638)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C27H23NO2/c1-2-24(20-6-4-3-5-7-20)27(23-13-14-25-22(18-23)16-17-28-25)21-11-8-19(9-12-21)10-15-26(29)30/h3-18,28H,2H2,1H3,(H,29,30)/b15-10+,27-24+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090221
PNG
(CHEMBL3581644)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)c(C)c1)c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C27H24N2O2/c1-3-24(20-7-5-4-6-8-20)27(22-11-13-25-23(16-22)17-28-29-25)21-10-9-19(18(2)15-21)12-14-26(30)31/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b14-12+,27-24+
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n/an/an/an/a 6n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090265
PNG
(CHEMBL3581676)
Show SMILES CC\C(=C(\c1csc(\C=C\C(O)=O)c1)c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C24H20N2O2S/c1-2-21(16-6-4-3-5-7-16)24(17-8-10-22-18(12-17)14-25-26-22)19-13-20(29-15-19)9-11-23(27)28/h3-15H,2H2,1H3,(H,25,26)(H,27,28)/b11-9+,24-21-
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n/an/an/an/a 1.13E+3n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090453
PNG
(CHEMBL3581684)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H21ClN2O2/c1-2-23(18-8-11-22(27)12-9-18)26(20-10-13-24-21(15-20)16-28-29-24)19-6-3-17(4-7-19)5-14-25(30)31/h3-16H,2H2,1H3,(H,28,29)(H,30,31)/b14-5+,26-23+
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n/an/an/an/a 10n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090454
PNG
(CHEMBL3581685)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C#N
Show InChI InChI=1S/C27H21N3O2/c1-2-23(24-6-4-3-5-21(24)16-28)27(20-12-13-25-22(15-20)17-29-30-25)19-10-7-18(8-11-19)9-14-26(31)32/h3-15,17H,2H2,1H3,(H,29,30)(H,31,32)/b14-9+,27-23+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090459
PNG
(CHEMBL3581690)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1OC
Show InChI InChI=1S/C27H24N2O3/c1-3-22(23-6-4-5-7-25(23)32-2)27(20-13-14-24-21(16-20)17-28-29-24)19-11-8-18(9-12-19)10-15-26(30)31/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b15-10+,27-22+
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n/an/an/an/a 4n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090455
PNG
(CHEMBL3581686)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H21N3O2/c1-2-24(21-5-3-4-19(14-21)16-28)27(22-11-12-25-23(15-22)17-29-30-25)20-9-6-18(7-10-20)8-13-26(31)32/h3-15,17H,2H2,1H3,(H,29,30)(H,31,32)/b13-8+,27-24+
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n/an/an/an/a 28n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090268
PNG
(CHEMBL3581678)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1C
Show InChI InChI=1S/C26H23N3O2/c1-3-22(23-12-13-27-15-17(23)2)26(20-9-10-24-21(14-20)16-28-29-24)19-7-4-18(5-8-19)6-11-25(30)31/h4-16H,3H2,1-2H3,(H,28,29)(H,30,31)/b11-6+,26-22+
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n/an/an/an/a 8n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090187
PNG
(CHEMBL3581642)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2cn[nH]c2c1)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-2-23(19-6-4-3-5-7-19)26(21-13-14-22-17-27-28-24(22)16-21)20-11-8-18(9-12-20)10-15-25(29)30/h3-17H,2H2,1H3,(H,27,28)(H,29,30)/b15-10+,26-23+
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n/an/an/an/a 357n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090469
PNG
(CHEMBL3581639)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]cnc2c1)c1ccccc1
Show InChI InChI=1S/C23H21NO5/c1-13-4-6-16(7-5-13)19-12-18(8-9-20(19)25)29-21-14(2)10-17(11-15(21)3)24-22(26)23(27)28/h4-12,25H,1-3H3,(H,24,26)(H,27,28)
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n/an/an/an/a 957n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090465
PNG
(CHEMBL3581635)
Show SMILES CC\C(=C(/c1ccc(NS(C)(=O)=O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H25NO4S/c1-3-24(20-7-5-4-6-8-20)26(21-12-9-19(10-13-21)11-18-25(28)29)22-14-16-23(17-15-22)27-32(2,30)31/h4-18,27H,3H2,1-2H3,(H,28,29)/b18-11+,26-24+
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n/an/an/an/a 1.05E+3n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090233
PNG
(CHEMBL3581646)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)c(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-3-23(18-7-5-4-6-8-18)27(20-11-13-24-22(15-20)17-28-29-24)21-10-9-19(12-14-26(30)31)25(16-21)32-2/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b14-12+,27-23-
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n/an/an/an/a 11n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090464
PNG
(CHEMBL3581634)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(O)nc1)c1ccccc1
Show InChI InChI=1S/C24H21NO3/c1-2-21(18-6-4-3-5-7-18)24(20-13-14-22(26)25-16-20)19-11-8-17(9-12-19)10-15-23(27)28/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b15-10+,24-21+
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n/an/an/an/a 6.28E+3n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19442
PNG
(2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...)
Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
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n/an/an/an/a 0.200n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50099587
PNG
(2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
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n/an/an/an/a 0.100n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50169743
PNG
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090270
PNG
(CHEMBL3581680)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1Cl
Show InChI InChI=1S/C25H20ClN3O2/c1-2-20(21-11-12-27-15-22(21)26)25(18-8-9-23-19(13-18)14-28-29-23)17-6-3-16(4-7-17)5-10-24(30)31/h3-15H,2H2,1H3,(H,28,29)(H,30,31)/b10-5+,25-20+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090463
PNG
(CHEMBL3581633)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-13-15-22(26)16-14-19)25(20-6-4-3-5-7-20)21-11-8-18(9-12-21)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23-
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n/an/an/an/a 113n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090462
PNG
(CHEMBL3581693 | US20240043442, Example GDC-0810)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/an/an/a 0.700n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090460
PNG
(CHEMBL3581691)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(cc1C)C#N
Show InChI InChI=1S/C28H23N3O2/c1-3-24(25-11-6-20(16-29)14-18(25)2)28(22-10-12-26-23(15-22)17-30-31-26)21-8-4-19(5-9-21)7-13-27(32)33/h4-15,17H,3H2,1-2H3,(H,30,31)(H,32,33)/b13-7+,28-24+
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n/an/an/an/a 1n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090452
PNG
(CHEMBL3581683)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN2O2/c1-2-23(19-4-3-5-22(27)15-19)26(20-11-12-24-21(14-20)16-28-29-24)18-9-6-17(7-10-18)8-13-25(30)31/h3-16H,2H2,1H3,(H,28,29)(H,30,31)/b13-8+,26-23+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090267
PNG
(CHEMBL3581677)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccnc1C
Show InChI InChI=1S/C26H23N3O2/c1-3-22(23-5-4-14-27-17(23)2)26(20-11-12-24-21(15-20)16-28-29-24)19-9-6-18(7-10-19)8-13-25(30)31/h4-16H,3H2,1-2H3,(H,28,29)(H,30,31)/b13-8+,26-22+
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090186
PNG
(CHEMBL3580674)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1cccc2[nH]ncc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-2-21(19-7-4-3-5-8-19)26(22-9-6-10-24-23(22)17-27-28-24)20-14-11-18(12-15-20)13-16-25(29)30/h3-17H,2H2,1H3,(H,27,28)(H,29,30)/b16-13+,26-21+
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n/an/an/an/a 6n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090471
PNG
(CHEMBL3581641)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C22H25NO5/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)
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Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090457
PNG
(CHEMBL3581688)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C
Show InChI InChI=1S/C27H24N2O2/c1-3-23(24-7-5-4-6-18(24)2)27(21-13-14-25-22(16-21)17-28-29-25)20-11-8-19(9-12-20)10-15-26(30)31/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b15-10+,27-23+
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n/an/an/an/a 0.800n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090470
PNG
(CHEMBL3581640)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]nnc2c1)c1ccccc1
Show InChI InChI=1S/C22H19NO4/c1-14-11-18(23-21(24)22(25)26)12-15(2)20(14)27-19-10-6-9-17(13-19)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,23,24)(H,25,26)
PDB

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UniChem

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n/an/an/an/a 14n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090229
PNG
(CHEMBL3581645)
Show SMILES CC\C(=C(/c1ccc2[nH]ncc2c1)c1ccc(\C=C\C(O)=O)cc1OC)c1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-3-22(19-7-5-4-6-8-19)27(20-11-13-24-21(16-20)17-28-29-24)23-12-9-18(10-14-26(30)31)15-25(23)32-2/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b14-10+,27-22-
PDB

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n/an/an/an/a 4n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50090269
PNG
(CHEMBL3581679)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cnccc1C
Show InChI InChI=1S/C26H23N3O2/c1-3-22(23-16-27-13-12-17(23)2)26(20-9-10-24-21(14-20)15-28-29-24)19-7-4-18(5-8-19)6-11-25(30)31/h4-16H,3H2,1-2H3,(H,28,29)(H,30,31)/b11-6+,26-22+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%