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PubMed code 24805199

Compile data set for download or QSAR
Found 10 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


(Homo sapiens (Human))		BDBM50018263
PNG
(CHEMBL3290287)
Show SMILES CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(OCCN(C)C)cc2)c1 |c:18|
Show InChI InChI=1S/C29H33NO2/c1-4-31-26-17-18-28-24(21-26)11-8-12-27(22-9-6-5-7-10-22)29(28)23-13-15-25(16-14-23)32-20-19-30(2)3/h5-7,9-10,13-18,21H,4,8,11-12,19-20H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Antagonist activity at ER in human MCF7:WS8 cells assessed as inhibition of estradiol-induced cell growth by measuring DNA level after 7 days by fluo...

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018264
PNG
(CHEMBL3290288)
Show SMILES CNCCOc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1 |t:12|
Show InChI InChI=1S/C26H27NO2/c1-27-16-17-29-23-13-10-20(11-14-23)26-24(19-6-3-2-4-7-19)9-5-8-21-18-22(28)12-15-25(21)26/h2-4,6-7,10-15,18,27-28H,5,8-9,16-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Antagonist activity at ER in human MCF7:WS8 cells assessed as inhibition of estradiol-induced cell growth by measuring DNA level after 7 days by fluo...

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018257
PNG
(CHEMBL3290282)
Show SMILES CCOc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1 |t:10|
Show InChI InChI=1S/C25H24O2/c1-2-27-22-14-11-19(12-15-22)25-23(18-7-4-3-5-8-18)10-6-9-20-17-21(26)13-16-24(20)25/h3-5,7-8,11-17,26H,2,6,9-10H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018258
PNG
(CHEMBL23698)
Show SMILES CN(C)CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:21|
Show InChI InChI=1S/C27H29NO2/c1-28(2)17-18-30-24-15-16-26-22(19-24)9-6-10-25(20-7-4-3-5-8-20)27(26)21-11-13-23(29)14-12-21/h3-5,7-8,11-16,19,29H,6,9-10,17-18H2,1-2H3
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n/an/an/an/a 15n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018261
PNG
(CHEMBL3290283)
Show SMILES CNCCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:20|
Show InChI InChI=1S/C26H27NO2/c1-27-16-17-29-23-14-15-25-21(18-23)8-5-9-24(19-6-3-2-4-7-19)26(25)20-10-12-22(28)13-11-20/h2-4,6-7,10-15,18,27-28H,5,8-9,16-17H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018256
PNG
(CHEMBL3290284)
Show SMILES COc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C24H22O2/c1-26-21-13-10-18(11-14-21)24-22(17-6-3-2-4-7-17)9-5-8-19-16-20(25)12-15-23(19)24/h2-4,6-7,10-16,25H,5,8-9H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018262
PNG
(CHEMBL37775)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
Show InChI InChI=1S/C22H20O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,23-25H,2H2,1H3
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n/an/an/an/a 0.150n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50121317
PNG
(1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
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n/an/an/an/a 0.0150n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018259
PNG
(CHEMBL3290286)
Show SMILES COc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:17|
Show InChI InChI=1S/C24H22O2/c1-26-21-14-15-23-19(16-21)8-5-9-22(17-6-3-2-4-7-17)24(23)18-10-12-20(25)13-11-18/h2-4,6-7,10-16,25H,5,8-9H2,1H3
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n/an/an/an/a 4n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50018260
PNG
(CHEMBL3290285)
Show SMILES CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:18|
Show InChI InChI=1S/C25H24O2/c1-2-27-22-15-16-24-20(17-22)9-6-10-23(18-7-4-3-5-8-18)25(24)19-11-13-21(26)14-12-19/h3-5,7-8,11-17,26H,2,6,9-10H2,1H3
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n/an/an/an/a 2.70n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%