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Compile Data Set for Download or QSAR

Found 4134 hits of ic50 for UniProtKB: P03372   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM263892
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES Oc1ccc2c(CCCC(c3ccc(cc3)N3CCCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1/C34H39FN2O2/c35-18-4-19-36-22-17-31(24-36)39-30-14-9-26(10-15-30)34-32(6-3-5-27-23-29(38)13-16-33(27)34)25-7-11-28(12-8-25)37-20-1-2-21-37/h7-16,23,31,38H,1-6,17-22,24H2/t31-/s2
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n/an/a 0n/an/an/an/a7.425



Sanofi

US Patent


Assay Description
It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...


US Patent US9714221 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PB1
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50276884
PNG
(CHEMBL42707)
Show SMILES Oc1ccc(cc1)-c1sc2cccc(O)c2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-11-7-20(8-12-21)28-26(25-23(31)5-4-6-24(25)34-28)27(32)19-9-13-22(14-10-19)33-18-17-29-15-2-1-3-16-29/h4-14,30-31H,1-3,15-18H2
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n/an/a<0.00200n/an/an/an/an/an/a



Jain University

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from ER in human MCF7 cells after 18 hrs by microbeta scintillation counting method


Eur J Med Chem 138: 1002-1033 (2017)

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/a 0.0100n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00050-5
BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361453
PNG
(2,2-difluoro-3- ((1R,3R)-1-(6- fluoro-3-(2- ((3- f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1C
Show InChI InChI=1/C27H33F4N3O2/c1-17-14-20-19-6-3-4-7-22(19)33-25(20)26(34(17)15-27(30,31)16-35)24-18(2)23(9-8-21(24)29)36-13-12-32-11-5-10-28/h3-4,6-9,17,26,32-33,35H,5,10-16H2,1-2H3/t17-,26-/s2
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n/an/a 0.0340n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361490
PNG
(N-(2-(3- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...)
Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1/C26H31F4N3O2/c1-16-14-18-17-6-3-4-7-19(17)32-25(18)26(33(16)15-22(28)29)23-20(34-2)8-9-21(24(23)30)35-13-12-31-11-5-10-27/h3-4,6-9,16,22,26,31-32H,5,10-15H2,1-2H3/t16-,26-/s2
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n/an/a 0.0420n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361518
PNG
(2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C
Show InChI InChI=1/C26H32F4N4O2/c1-16-12-19-18-6-3-4-7-21(18)33-23(19)24(34(16)14-26(29,30)15-35)22-17(2)25(32-13-20(22)28)36-11-10-31-9-5-8-27/h3-4,6-7,13,16,24,31,33,35H,5,8-12,14-15H2,1-2H3/t16-,24-/s2
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n/an/a 0.0450n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50276893
PNG
(CHEMBL1193539)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H26ClNO3S/c29-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-30-14-2-1-3-15-30/h4-13,18,31H,1-3,14-17H2
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n/an/a 0.0460n/an/an/an/an/an/a



Jain University

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from ER in human MCF7 cells after 18 hrs by microbeta scintillation counting method


Eur J Med Chem 138: 1002-1033 (2017)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300973
PNG
(2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1
Show InChI InChI=1/C24H26F6N6/c1-13-9-16-15(3-4-17-20(16)23(27)34-33-17)21(36(13)12-24(28,29)30)18-5-6-19(22(26)32-18)31-14-10-35(11-14)8-2-7-25/h3-6,13-14,21,31H,2,7-12H2,1H3,(H,33,34)/t13-,21+/s2
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n/an/a 0.0480n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19443
PNG
(2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H27NO4S/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2
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n/an/a 0.0500n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of 17-beta-estradiol (10e-11 M) mediated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 1137-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00145-6
BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300961
PNG
(1-(3-Fluoropropyl)-N-(4-((6R,8R)-8-methyl-7-(2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1/C25H29F4N5/c1-16-11-21-20(7-8-23-22(21)12-30-32-23)24(34(16)15-25(27,28)29)17-3-5-18(6-4-17)31-19-13-33(14-19)10-2-9-26/h3-8,12,16,19,24,31H,2,9-11,13-15H2,1H3,(H,30,32)/t16-,24-/s2
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n/an/a 0.0500n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300933
PNG
(N-(3,5-difluoro-4-((6S,8R)-8-methyl-7-(2,2,2-trifl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1/C25H27F6N5/c1-14-7-18-17(3-4-22-19(18)10-32-34-22)24(36(14)13-25(29,30)31)23-20(27)8-15(9-21(23)28)33-16-11-35(12-16)6-2-5-26/h3-4,8-10,14,16,24,33H,2,5-7,11-13H2,1H3,(H,32,34)/t14-,24+/s2
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n/an/a 0.0550n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361473
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F
Show InChI InChI=1/C25H28F6N4O2/c1-14-9-17-16-10-15(27)3-4-19(16)34-22(17)23(35(14)12-25(30,31)13-36)20-18(28)11-33-24(21(20)29)37-8-7-32-6-2-5-26/h3-4,10-11,14,23,32,34,36H,2,5-9,12-13H2,1H3/t14-,23-/s2
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n/an/a 0.0580n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361420
PNG
(Preparation of 3-fluoro-N-(2-((5-methoxy-4-((1R,3R...)
Show SMILES COc1cnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1/C25H30F4N4O2/c1-16-12-18-17-6-3-4-7-20(17)32-23(18)24(33(16)15-25(27,28)29)19-13-22(31-14-21(19)34-2)35-11-10-30-9-5-8-26/h3-4,6-7,13-14,16,24,30,32H,5,8-12,15H2,1-2H3/t16-,24-/s2
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n/an/a 0.0590n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/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
Show InChI InChI=1/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?/s2
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n/an/a 0.0600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as inhibition of insulin-mediated cell proliferation after 6 days by Hoechst 33258 dye-...


J Med Chem 60: 2790-2818 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01468
BindingDB Entry DOI: 10.7270/Q2DB845Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300956
PNG
((6S,8R)-7-(2,2-difluoroethyl)-6-(4-((1-(3-fluoropr...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1/C26H31F3N4O2/c1-16-10-21-19(6-7-23-22(21)12-30-31-23)26(33(16)15-25(28)29)20-5-4-17(11-24(20)34-2)35-18-13-32(14-18)9-3-8-27/h4-7,11-12,16,18,25-26H,3,8-10,13-15H2,1-2H3,(H,30,31)/t16-,26+/s2
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n/an/a 0.0620n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1/C27H34F3N5O/c1-17-11-22-20(7-8-24-23(22)13-31-33-24)26(35(17)16-27(2,29)30)21-6-5-18(12-25(21)36-3)32-19-14-34(15-19)10-4-9-28/h5-8,12-13,17,19,26,32H,4,9-11,14-16H2,1-3H3,(H,31,33)/t17-,26+/s2
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n/an/a 0.0630n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
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
Show InChI InChI=1/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?/s2
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n/an/a 0.0631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells


J Med Chem 58: 8128-40 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361495
PNG
(3-((1R,3R)-1- (6-fluoro-3-(2- ((3- fluoropropyl) a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC#N)c1c(F)ccc(OCCNCCCF)c1C
Show InChI InChI=1/C27H32F2N4O/c1-18-17-21-20-7-3-4-8-23(20)32-26(21)27(33(18)15-6-12-30)25-19(2)24(10-9-22(25)29)34-16-14-31-13-5-11-28/h3-4,7-10,18,27,31-32H,5-6,11,13-17H2,1-2H3/t18-,27-/s2
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n/an/a 0.0650n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(1-(3-fluoropropyl)-N-(3-methoxy-4-((6S,8R)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1/C26H31F4N5O/c1-16-10-21-19(6-7-23-22(21)12-31-33-23)25(35(16)15-26(28,29)30)20-5-4-17(11-24(20)36-2)32-18-13-34(14-18)9-3-8-27/h4-7,11-12,16,18,25,32H,3,8-10,13-15H2,1-2H3,(H,31,33)/t16-,25+/s2
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n/an/a 0.0650n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361519
PNG
(3-((1R,3R)-1- (3-chloro-5- fluoro-2-(2- ((3- fluor...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1Cl
Show InChI InChI=1/C25H29ClF4N4O2/c1-15-11-17-16-5-2-3-6-19(16)33-22(17)23(34(15)13-25(29,30)14-35)20-18(28)12-32-24(21(20)26)36-10-9-31-8-4-7-27/h2-3,5-6,12,15,23,31,33,35H,4,7-11,13-14H2,1H3/t15-,23-/s2
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n/an/a 0.0700n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368199
PNG
((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1
Show InChI InChI=1/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/s2
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n/an/a 0.0700n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361472
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F
Show InChI InChI=1/C25H29F5N4O2/c1-15-11-17-16-5-2-3-6-19(16)33-22(17)23(34(15)13-25(29,30)14-35)20-18(27)12-32-24(21(20)28)36-10-9-31-8-4-7-26/h2-3,5-6,12,15,23,31,33,35H,4,7-11,13-14H2,1H3/t15-,23-/s2
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n/an/a 0.0710n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300983
PNG
(N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1/C25H28F5N5/c1-14-7-18-17(3-4-22-19(18)10-31-33-22)25(35(14)13-23(29)30)24-20(27)8-15(9-21(24)28)32-16-11-34(12-16)6-2-5-26/h3-4,8-10,14,16,23,25,32H,2,5-7,11-13H2,1H3,(H,31,33)/t14-,25+/s2
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n/an/a 0.0750n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361470
PNG
(3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1/C26H29F6N3O2/c1-15-12-16-21-17(28)4-2-5-19(21)34-24(16)25(35(15)13-26(31,32)14-36)22-18(29)6-7-20(23(22)30)37-11-10-33-9-3-8-27/h2,4-7,15,25,33-34,36H,3,8-14H2,1H3/t15-,25-/s2
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n/an/a 0.0760n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300929
PNG
(3-((6S,8R)-6-(2,6-difluoro-4-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1/C26H30F5N5O/c1-15-7-19-18(3-4-23-20(19)10-32-34-23)25(36(15)13-26(30,31)14-37)24-21(28)8-16(9-22(24)29)33-17-11-35(12-17)6-2-5-27/h3-4,8-10,15,17,25,33,37H,2,5-7,11-14H2,1H3,(H,32,34)/t15-,25+/s2
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n/an/a 0.0770n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300982
PNG
(N-(4-((6R,8R)- 7-(2,2- difluoroethyl)- 8-methyl- 6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1/C25H30F3N5/c1-16-11-21-20(7-8-23-22(21)12-29-31-23)25(33(16)15-24(27)28)17-3-5-18(6-4-17)30-19-13-32(14-19)10-2-9-26/h3-8,12,16,19,24-25,30H,2,9-11,13-15H2,1H3,(H,29,31)/t16-,25-/s2
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n/an/a 0.0780n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361423
PNG
(3-((1R,3R)-1-(2,6-difluoro-3-(2-((3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1/C26H29F6N3O2/c1-15-11-18-17-12-16(28)3-5-20(17)34-24(18)25(35(15)13-26(31,32)14-36)22-19(29)4-6-21(23(22)30)37-10-9-33-8-2-7-27/h3-6,12,15,25,33-34,36H,2,7-11,13-14H2,1H3/t15-,25-/s2
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n/an/a 0.0790n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306756
PNG
(N-(2-((5-((1R,3R)-2-(2,2-Difluoropropyl)-3-methyl-...)
Show SMILES COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1/C26H33F3N4O2/c1-17-13-19-18-7-4-5-8-21(18)32-24(19)25(33(17)16-26(2,28)29)20-15-31-23(14-22(20)34-3)35-12-11-30-10-6-9-27/h4-5,7-8,14-15,17,25,30,32H,6,9-13,16H2,1-3H3/t17-,25-/s2
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n/an/a 0.0790n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306718
PNG
(N-(2-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methyl...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1/C27H33F4N3O/c1-17-13-20-19-7-4-5-8-23(19)33-25(20)26(34(17)16-27(2,3)31)24-21(29)14-18(15-22(24)30)35-12-11-32-10-6-9-28/h4-5,7-8,14-15,17,26,32-33H,6,9-13,16H2,1-3H3/t17-,26-/s2
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n/an/a 0.0800n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361441
PNG
(3-fluoro-N-(2- (4-fluoro-2- methyl-3- ((1R,3R)-3- ...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1C
Show InChI InChI=1/C26H30F5N3O/c1-16-14-19-18-6-3-4-7-21(18)33-24(19)25(34(16)15-26(29,30)31)23-17(2)22(9-8-20(23)28)35-13-12-32-11-5-10-27/h3-4,6-9,16,25,32-33H,5,10-15H2,1-2H3/t16-,25-/s2
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n/an/a 0.0810n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361511
PNG
(2,2-difluoro-3- ((1R,3R)-1-(2- (2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1C
Show InChI InChI=1/C26H33F3N4O2/c1-17-14-21-20-6-3-4-7-22(20)32-23(21)24(33(17)15-26(28,29)16-34)19-8-11-31-25(18(19)2)35-13-12-30-10-5-9-27/h3-4,6-8,11,17,24,30,32,34H,5,9-10,12-16H2,1-2H3/t17-,24-/s2
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n/an/a 0.0840n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306731
PNG
(3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1/C27H33F4N3O2/c1-17-12-20-19-6-3-4-7-23(19)33-25(20)26(34(17)15-27(2,31)16-35)24-21(29)13-18(14-22(24)30)36-11-10-32-9-5-8-28/h3-4,6-7,13-14,17,26,32-33,35H,5,8-12,15-16H2,1-2H3/t17-,26-,27?/s2
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n/an/a 0.0860n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306764
PNG
(BDBM306765 | N-(2-(3,5- difluoro-4- ((1R,3R)-2-(2-...)
Show SMILES COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F
Show InChI InChI=1/C28H35F4N3O2/c1-18-13-21-20-7-4-5-8-24(20)34-26(21)27(35(18)16-28(2,32)17-36-3)25-22(30)14-19(15-23(25)31)37-12-11-33-10-6-9-29/h4-5,7-8,14-15,18,27,33-34H,6,9-13,16-17H2,1-3H3/t18-,27-,28?/s2
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n/an/a 0.0870n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306772
PNG
(2,2-difluoro-3- ((1R,3R)-1-(4- (2-((3- fluoropropy...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1/C27H34F3N3O3/c1-18-14-22-20-6-3-4-7-23(20)32-25(22)26(33(18)16-27(29,30)17-34)21-9-8-19(15-24(21)35-2)36-13-12-31-11-5-10-28/h3-4,6-9,15,18,26,31-32,34H,5,10-14,16-17H2,1-2H3/t18-,26-/s2
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n/an/a 0.0870n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361417
PNG
(Preparation of N-(2-(2,4-difluoro-3-((1R,3R)-3-met...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1/C25H27F6N3O/c1-15-13-17-16-5-2-3-6-19(16)33-23(17)24(34(15)14-25(29,30)31)21-18(27)7-8-20(22(21)28)35-12-11-32-10-4-9-26/h2-3,5-8,15,24,32-33H,4,9-14H2,1H3/t15-,24-/s2
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n/an/a 0.0880n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361493
PNG
(3-((1R,3R)-1- (2-chloro-6- fluoro-3-(2- ((3- fluor...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1Cl
Show InChI InChI=1/C26H30ClF4N3O2/c1-16-13-18-17-5-2-3-6-20(17)33-24(18)25(34(16)14-26(30,31)15-35)22-19(29)7-8-21(23(22)27)36-12-11-32-10-4-9-28/h2-3,5-8,16,25,32-33,35H,4,9-15H2,1H3/t16-,25-/s2
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n/an/a 0.0890n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50171495
PNG
(CHEMBL3805318)
Show SMILES CCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C35H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-22-36-23-24-40-30-19-14-26(15-20-30)34(39)33-31-21-18-29(38)25-32(31)41-35(33)27-12-16-28(37)17-13-27/h12-21,25,36-38H,2-11,22-24H2,1H3
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n/an/a 0.0900n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha (unknown origin) transfected in 17beta-estradiol induced-HEK293 cells assessed as inhibition of estradiol-mediated pro...


Bioorg Med Chem 24: 2914-2919 (2016)


Article DOI: 10.1016/j.bmc.2016.04.068
BindingDB Entry DOI: 10.7270/Q21V5GWW
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361422
PNG
(3-((1R,3R)-1-(2,6-difluoro-3-(2-((3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F
Show InChI InChI=1/C26H30F5N3O2/c1-16-13-18-17-5-2-3-6-20(17)33-24(18)25(34(16)14-26(30,31)15-35)22-19(28)7-8-21(23(22)29)36-12-11-32-10-4-9-27/h2-3,5-8,16,25,32-33,35H,4,9-15H2,1H3/t16-,25-/s2
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n/an/a 0.0920n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306760
PNG
(3-((1R,3R)-1-(2,6-difluoro-4-((2-((3-fluoropropyl)...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCNCCCF)cc1F
Show InChI InChI=1/C26H31F5N4O/c1-16-11-19-18-5-2-3-6-22(18)34-24(19)25(35(16)14-26(30,31)15-36)23-20(28)12-17(13-21(23)29)33-10-9-32-8-4-7-27/h2-3,5-6,12-13,16,25,32-34,36H,4,7-11,14-15H2,1H3/t16-,25-/s2
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n/an/a 0.0930n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM306787
PNG
(3-fluoro-N-(2- (3-methoxy-4- ((1R,3R)-3- methyl-2-...)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21
Show InChI InChI=1/C26H31F4N3O2/c1-17-14-21-19-6-3-4-7-22(19)32-24(21)25(33(17)16-26(28,29)30)20-9-8-18(15-23(20)34-2)35-13-12-31-11-5-10-27/h3-4,6-9,15,17,25,31-32H,5,10-14,16H2,1-2H3/t17-,25-/s2
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n/an/a 0.0940n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10149839 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q28P62M5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300942
PNG
(N-(3,5-difluoro-4-((6S,8R)-7-((1-fluorocyclopropyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1/C27H31F4N5/c1-16-9-20-19(3-4-24-21(20)12-32-34-24)26(36(16)15-27(31)5-6-27)25-22(29)10-17(11-23(25)30)33-18-13-35(14-18)8-2-7-28/h3-4,10-12,16,18,26,33H,2,5-9,13-15H2,1H3,(H,32,34)/t16-,26+/s2
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n/an/a 0.0940n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361476
PNG
(3-((1R,3R)-1- (2- (difluoromethyl)- 3-(2-((3- fluo...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cccc(OCCNCCCF)c1C(F)F
Show InChI InChI=1/C27H32F5N3O2/c1-17-14-20-18-6-2-3-8-21(18)34-24(20)25(35(17)15-27(31,32)16-36)19-7-4-9-22(23(19)26(29)30)37-13-12-33-11-5-10-28/h2-4,6-9,17,25-26,33-34,36H,5,10-16H2,1H3/t17-,25-/s2
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n/an/a 0.0950n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361514
PNG
(3-fluoro-N-(2- ((3-methyl-4- ((1R,3R)-3- methyl-2-...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1C
Show InChI InChI=1/C25H30F4N4O/c1-16-14-20-19-6-3-4-7-21(19)32-22(20)23(33(16)15-25(27,28)29)18-8-11-31-24(17(18)2)34-13-12-30-10-5-9-26/h3-4,6-8,11,16,23,30,32H,5,9-10,12-15H2,1-2H3/t16-,23-/s2
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n/an/a 0.0950n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300966
PNG
(6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroeth...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
Show InChI InChI=1/C24H27F5N6/c1-14-9-18-17(4-6-19-21(18)23(26)33-32-19)22(35(14)13-24(27,28)29)20-5-3-15(10-30-20)31-16-11-34(12-16)8-2-7-25/h3-6,10,14,16,22,31H,2,7-9,11-13H2,1H3,(H,32,33)/t14-,22+/s2
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n/an/a 0.0960n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
Show InChI InChI=1/C26H32F3N5O/c1-16-10-21-19(6-7-23-22(21)12-30-32-23)26(34(16)15-25(28)29)20-5-4-17(11-24(20)35-2)31-18-13-33(14-18)9-3-8-27/h4-7,11-12,16,18,25-26,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,26+/s2
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n/an/a 0.0980n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM361475
PNG
(3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...)
Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCN(C)CCCF)c1F
Show InChI InChI=1/C26H30F6N4O2/c1-15-10-18-17-11-16(28)4-5-20(17)34-23(18)24(36(15)13-26(31,32)14-37)21-19(29)12-33-25(22(21)30)38-9-8-35(2)7-3-6-27/h4-5,11-12,15,24,34,37H,3,6-10,13-14H2,1-2H3/t15-,24-/s2
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n/an/a 0.0990n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10221173 (2019)


Article DOI: 10.1021/jm030585i
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300974
PNG
(6-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)nc1F
Show InChI InChI=1/C24H27F5N6/c1-14-9-18-16(3-5-20-19(18)10-30-33-20)22(35(14)13-24(27,28)29)17-4-6-21(32-23(17)26)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22H,2,7-9,11-13H2,1H3,(H,30,33)(H,31,32)/t14-,22+/s2
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300967
PNG
(5-Fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-tri...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F
Show InChI InChI=1/C24H26F6N6/c1-13-7-17-16(3-4-19-20(17)23(27)34-33-19)22(36(13)12-24(28,29)30)21-18(26)8-14(9-31-21)32-15-10-35(11-15)6-2-5-25/h3-4,8-9,13,15,22,32H,2,5-7,10-12H2,1H3,(H,33,34)/t13-,22+/s2
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300919
PNG
(N-(4-((6S,8R)-7-(2,2-difluoro-3-methoxypropyl)-8-m...)
Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC
Show InChI InChI=1/C28H36F3N5O2/c1-18-11-23-21(7-8-25-24(23)13-32-34-25)27(36(18)16-28(30,31)17-37-2)22-6-5-19(12-26(22)38-3)33-20-14-35(15-20)10-4-9-29/h5-8,12-13,18,20,27,33H,4,9-11,14-17H2,1-3H3,(H,32,34)/t18-,27+/s2
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300944
PNG
(US10131663, Example 13)
Show SMILES COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC
Show InChI InChI=1/C29H38F2N4O3/c1-19-12-24-22(8-9-26-25(24)14-32-33-26)28(35(19)17-29(2,31)18-36-3)23-7-6-20(13-27(23)37-4)38-21-15-34(16-21)11-5-10-30/h6-9,13-14,19,21,28H,5,10-12,15-18H2,1-4H3,(H,32,33)/t19-,28+,29+/s2
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n/an/a 0.110n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
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