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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50040720   
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))
BDBM50398931
PNG
(CHEMBL2178798)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C23H18FNO3/c1-25-22(19-11-10-18(28)12-21(19)24)13-20(14-2-6-16(26)7-3-14)23(25)15-4-8-17(27)9-5-15/h2-13,26-28H,1H3
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n/an/an/an/a 24n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398935
PNG
(PROPYLPYRAZOLETRIOL)
Show SMILES CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
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n/an/an/an/a 0.100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398933
PNG
(CHEMBL2178796)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18FNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3
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n/an/an/an/a 60n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398934
PNG
(CHEMBL2178795)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c1-2-15-26-24(18-5-11-21(28)12-6-18)16-23(17-3-9-20(27)10-4-17)25(26)19-7-13-22(29)14-8-19/h3-14,16,27-29H,2,15H2,1H3
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n/an/an/an/a 0.400n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398935
PNG
(PROPYLPYRAZOLETRIOL)
Show SMILES CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
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n/an/an/an/a 3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398936
PNG
(CHEMBL2178794)
Show SMILES CCCc1c(cn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c1-2-3-23-24(17-4-10-20(27)11-5-17)16-26(19-8-14-22(29)15-9-19)25(23)18-6-12-21(28)13-7-18/h4-16,27-29H,2-3H2,1H3
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n/an/an/an/a 70n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398937
PNG
(CHEMBL2178793)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H20F3NO3/c1-2-9-29-24(18-7-4-15(31)11-22(18)27)13-20(17-6-3-14(30)10-21(17)26)25(29)19-8-5-16(32)12-23(19)28/h3-8,10-13,30-32H,2,9H2,1H3
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n/an/an/an/a 23n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398938
PNG
(CHEMBL2178792)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398939
PNG
(CHEMBL2179257)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C23H17F2NO3/c1-26-22(17-8-6-15(28)10-20(17)24)12-19(13-2-4-14(27)5-3-13)23(26)18-9-7-16(29)11-21(18)25/h2-12,27-29H,1H3
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n/an/an/an/a 290n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398940
PNG
(CHEMBL2179256)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1F)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(16-3-7-18(28)8-4-16)15-22(21-12-11-20(30)14-23(21)26)25(27)17-5-9-19(29)10-6-17/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 26n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398941
PNG
(CHEMBL2179253)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 63n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398942
PNG
(CHEMBL2179252)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3
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n/an/an/an/a 600n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398943
PNG
(CHEMBL2179251)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(21-12-11-20(30)14-23(21)26)15-22(16-3-7-18(28)8-4-16)25(27)17-5-9-19(29)10-6-17/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 240n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398932
PNG
(CHEMBL2178797)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 70n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398934
PNG
(CHEMBL2178795)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c1-2-15-26-24(18-5-11-21(28)12-6-18)16-23(17-3-9-20(27)10-4-17)25(26)19-7-13-22(29)14-8-19/h3-14,16,27-29H,2,15H2,1H3
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n/an/an/an/a 50n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 0.0100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERbeta expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398936
PNG
(CHEMBL2178794)
Show SMILES CCCc1c(cn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c1-2-3-23-24(17-4-10-20(27)11-5-17)16-26(19-8-14-22(29)15-9-19)25(23)18-6-12-21(28)13-7-18/h4-16,27-29H,2-3H2,1H3
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n/an/an/an/a 1.60n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398937
PNG
(CHEMBL2178793)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H20F3NO3/c1-2-9-29-24(18-7-4-15(31)11-22(18)27)13-20(17-6-3-14(30)10-21(17)26)25(29)19-8-5-16(32)12-23(19)28/h3-8,10-13,30-32H,2,9H2,1H3
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n/an/an/an/a 0.200n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398938
PNG
(CHEMBL2178792)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3
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n/an/an/an/a 0.270n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398939
PNG
(CHEMBL2179257)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C23H17F2NO3/c1-26-22(17-8-6-15(28)10-20(17)24)12-19(13-2-4-14(27)5-3-13)23(26)18-9-7-16(29)11-21(18)25/h2-12,27-29H,1H3
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n/an/an/an/a 15n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398940
PNG
(CHEMBL2179256)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1F)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(16-3-7-18(28)8-4-16)15-22(21-12-11-20(30)14-23(21)26)25(27)17-5-9-19(29)10-6-17/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 0.840n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398944
PNG
(CHEMBL2179255)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C25H22ClNO3/c1-2-13-27-24(21-12-11-20(30)14-23(21)26)15-22(16-3-7-18(28)8-4-16)25(27)17-5-9-19(29)10-6-17/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 47n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398945
PNG
(CHEMBL2179254)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C23H18ClNO3/c1-25-22(19-11-10-18(28)12-21(19)24)13-20(14-2-6-16(26)7-3-14)23(25)15-4-8-17(27)9-5-15/h2-13,26-28H,1H3
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n/an/an/an/a 100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398941
PNG
(CHEMBL2179253)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 0.310n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398942
PNG
(CHEMBL2179252)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18ClNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3
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n/an/an/an/a 16n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398943
PNG
(CHEMBL2179251)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(21-12-11-20(30)14-23(21)26)15-22(16-3-7-18(28)8-4-16)25(27)17-5-9-19(29)10-6-17/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 0.670n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 0.00400n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398932
PNG
(CHEMBL2178797)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 0.120n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair