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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'norris' and Initial = 'jd'   
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))		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 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))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00180
BindingDB Entry DOI: 10.7270/Q2X06C2Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM269484
PNG
(US10058534, 139)
Show SMILES CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM269467
PNG
((E)-3-(4-((2-(2-(1,1- difluoroethyl)phenyl)-6- hyd...)
Show SMILES CC(F)(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H18F2O4S/c1-25(26,27)20-5-3-2-4-18(20)24-23(19-12-9-16(28)14-21(19)32-24)31-17-10-6-15(7-11-17)8-13-22(29)30/h2-14,28H,1H3,(H,29,30)/b13-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269456
PNG
((E)-3-(4-((2-(2-(1- fluoroethyl)phenyl)-6- hydroxy...)
Show SMILES CC(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H19FO4S/c1-15(26)19-4-2-3-5-20(19)25-24(21-12-9-17(27)14-22(21)31-25)30-18-10-6-16(7-11-18)8-13-23(28)29/h2-15,27H,1H3,(H,28,29)/b13-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237304
PNG
(CHEMBL4093325)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C1CC1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C28H27NO3/c1-28(23-9-2-19(3-10-23)4-15-27(31)32)26-14-13-25(30)18-22(26)16-17-29(28)24-11-7-21(8-12-24)20-5-6-20/h2-4,7-15,18,20,30H,5-6,16-17H2,1H3,(H,31,32)/b15-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (short) stably expressed in CHO cells by [3H]spiperone displacement.

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))		BDBM50237322
PNG
(CHEMBL4088736)
Show SMILES CC(C)Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(\C=C\C(O)=O)cc2)c(F)c1
Show InChI InChI=1S/C29H30FNO3/c1-19(2)16-21-6-12-27(26(30)17-21)31-15-14-22-18-24(32)10-11-25(22)29(31,3)23-8-4-20(5-9-23)7-13-28(33)34/h4-13,17-19,32H,14-16H2,1-3H3,(H,33,34)/b13-7+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM269308
PNG
((E)-3-(4-((6-hydroxy-2- (2-isopropylphenyl)- benzo...)
Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H22O4S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-10-18(27)15-23(22)31-26)30-19-11-7-17(8-12-19)9-14-24(28)29/h3-16,27H,1-2H3,(H,28,29)/b14-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237317
PNG
(CHEMBL4098286)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(CC(F)(F)F)cc1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C27H24F3NO3/c1-26(21-7-2-18(3-8-21)6-13-25(33)34)24-12-11-23(32)16-20(24)14-15-31(26)22-9-4-19(5-10-22)17-27(28,29)30/h2-13,16,32H,14-15,17H2,1H3,(H,33,34)/b13-6+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237305
PNG
(CHEMBL4072611)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C1CCC1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C29H29NO3/c1-29(24-10-5-20(6-11-24)7-16-28(32)33)27-15-14-26(31)19-23(27)17-18-30(29)25-12-8-22(9-13-25)21-3-2-4-21/h5-16,19,21,31H,2-4,17-18H2,1H3,(H,32,33)/b16-7+
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...

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))		BDBM50237332
PNG
(CHEMBL4078937)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(CC2CC2)cc1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C29H29NO3/c1-29(24-9-4-20(5-10-24)8-15-28(32)33)27-14-13-26(31)19-23(27)16-17-30(29)25-11-6-22(7-12-25)18-21-2-3-21/h4-15,19,21,31H,2-3,16-18H2,1H3,(H,32,33)/b15-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM50237306
PNG
(CHEMBL4076352)
Show SMILES CC(C)Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C29H31NO3/c1-20(2)18-22-6-11-25(12-7-22)30-17-16-23-19-26(31)13-14-27(23)29(30,3)24-9-4-21(5-10-24)8-15-28(32)33/h4-15,19-20,31H,16-18H2,1-3H3,(H,32,33)/b15-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM50237302
PNG
(CHEMBL4101697)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM269364
PNG
((E)-3-(4-((2-(2- ethylphenyl)-6- hydroxybenzo[b] t...)
Show SMILES CCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H20O4S/c1-2-17-5-3-4-6-20(17)25-24(21-13-10-18(26)15-22(21)30-25)29-19-11-7-16(8-12-19)9-14-23(27)28/h3-15,26H,2H2,1H3,(H,27,28)/b14-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269377
PNG
(US10058534, 31)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1
Show InChI InChI=1S/C26H20F3NO4S/c27-26(28,29)13-14-30-23(33)12-3-16-1-9-20(10-2-16)34-24-21-11-8-19(32)15-22(21)35-25(24)17-4-6-18(31)7-5-17/h1-12,15,31-32H,13-14H2,(H,30,33)/b12-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269363
PNG
((E)-3-(4-((2-(4-fluoro- 2-(trifluoromethyl)- pheny...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H14F4O4S/c25-14-4-8-17(19(11-14)24(26,27)28)23-22(18-9-5-15(29)12-20(18)33-23)32-16-6-1-13(2-7-16)3-10-21(30)31/h1-12,29H,(H,30,31)/b10-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269399
PNG
(US10058534, 54)
Show SMILES Cn1nnnc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H18N4O3S/c1-28-22(25-26-27-28)13-4-15-2-10-19(11-3-15)31-23-20-12-9-18(30)14-21(20)32-24(23)16-5-7-17(29)8-6-16/h2-14,29-30H,1H3/b13-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B

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))		BDBM269366
PNG
((E)-3-(4-((2-(2-(tert- butyl)phenyl)-6- hydroxyben...)
Show SMILES CC(C)(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C27H24O4S/c1-27(2,3)22-7-5-4-6-20(22)26-25(21-14-11-18(28)16-23(21)32-26)31-19-12-8-17(9-13-19)10-15-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b15-10+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269354
PNG
((E)-3-(4-((6-hydroxy-2- (2-(trifluoromethyl)- phen...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H15F3O4S/c25-24(26,27)19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)32-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 hrs by Western blot analysis

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))		BDBM50238741
PNG
(CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237303
PNG
(CHEMBL4065632)
Show SMILES CCCCc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C29H31NO3/c1-3-4-5-21-8-13-25(14-9-21)30-19-18-23-20-26(31)15-16-27(23)29(30,2)24-11-6-22(7-12-24)10-17-28(32)33/h6-17,20,31H,3-5,18-19H2,1-2H3,(H,32,33)/b17-10+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM50237302
PNG
(CHEMBL4101697)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 hrs by Western blot analysis

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))		BDBM50237302
PNG
(CHEMBL4101697)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+
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n/an/a 2.10n/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))		BDBM269425
PNG
(US10058534, 80)
Show SMILES COCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H20O5S/c1-29-15-17-4-2-3-5-20(17)25-24(21-12-9-18(26)14-22(21)31-25)30-19-10-6-16(7-11-19)8-13-23(27)28/h2-14,26H,15H2,1H3,(H,27,28)/b13-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237320
PNG
(CHEMBL4069539)
Show SMILES CC(C)c1ccc(cc1F)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C28H28FNO3/c1-18(2)24-11-9-22(17-26(24)29)30-15-14-20-16-23(31)10-12-25(20)28(30,3)21-7-4-19(5-8-21)6-13-27(32)33/h4-13,16-18,31H,14-15H2,1-3H3,(H,32,33)/b13-6+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM20593
PNG
(2-(4-fluorophenyl)-1-methyl-1-{4-[2-(piperidin-1-y...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H33FN2O2/c1-29(23-5-12-27(13-6-23)34-20-19-31-16-3-2-4-17-31)28-14-11-26(33)21-22(28)15-18-32(29)25-9-7-24(30)8-10-25/h5-14,21,33H,2-4,15-20H2,1H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estrogen-induced transcription preincubated overnight followed by estrog...

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))		BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estrogen-induced transcription preincubated overnight followed by estrog...

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		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269400
PNG
((E)-2-(4- hydroxyphenyl)-3-(4- (2-(2-methyl-2H- te...)
Show SMILES Cn1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)n1
Show InChI InChI=1S/C24H18N4O3S/c1-28-26-22(25-27-28)13-4-15-2-10-19(11-3-15)31-23-20-12-9-18(30)14-21(20)32-24(23)16-5-7-17(29)8-6-16/h2-14,29-30H,1H3/b13-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estrogen-induced transcription preincubated overnight followed by estrog...

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))		BDBM50238741
PNG
(CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50238741
PNG
(CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced GREB1 ...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269320
PNG
((E)-3-(4-((6-hydroxy-2- (o-tolyl)benzo- [b]thiophe...)
Show SMILES Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H18O4S/c1-15-4-2-3-5-19(15)24-23(20-12-9-17(25)14-21(20)29-24)28-18-10-6-16(7-11-18)8-13-22(26)27/h2-14,25H,1H3,(H,26,27)/b13-8+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269358
PNG
((E)-3-(4-((2-(4-fluoro- 2-methylphenyl)-6- hydroxy...)
Show SMILES Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H17FO4S/c1-14-12-16(25)5-9-19(14)24-23(20-10-6-17(26)13-21(20)30-24)29-18-7-2-15(3-8-18)4-11-22(27)28/h2-13,26H,1H3,(H,27,28)/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269424
PNG
(US10058534, 79)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)F)cc1
Show InChI InChI=1S/C24H16F2O4S/c25-24(26)18-4-2-1-3-17(18)23-22(19-11-8-15(27)13-20(19)31-23)30-16-9-5-14(6-10-16)7-12-21(28)29/h1-13,24,27H,(H,28,29)/b12-7+
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n/an/a 4.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237329
PNG
(CHEMBL4090556)
Show SMILES CCC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C29H31NO3/c1-4-20(2)22-8-12-25(13-9-22)30-18-17-23-19-26(31)14-15-27(23)29(30,3)24-10-5-21(6-11-24)7-16-28(32)33/h5-16,19-20,31H,4,17-18H2,1-3H3,(H,32,33)/b16-7+
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n/an/a 4.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM269445
PNG
((E)-3-(4-((6-hydroxy-2- (2-methylpyridin-3- yl)ben...)
Show SMILES Cc1ncccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C23H17NO4S/c1-14-18(3-2-12-24-14)23-22(19-10-7-16(25)13-20(19)29-23)28-17-8-4-15(5-9-17)6-11-21(26)27/h2-13,25H,1H3,(H,26,27)/b11-6+
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n/an/a 5.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50237328
PNG
(CHEMBL4087804)
Show SMILES CCCCCc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C30H33NO3/c1-3-4-5-6-22-9-14-26(15-10-22)31-20-19-24-21-27(32)16-17-28(24)30(31,2)25-12-7-23(8-13-25)11-18-29(33)34/h7-18,21,32H,3-6,19-20H2,1-2H3,(H,33,34)/b18-11+
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n/an/a 5.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM269371
PNG
((S,E)-3-(4-((6-hydroxy- 2-(2-(1- hydroxyethyl)phen...)
Show SMILES C[C@H](O)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H20O5S/c1-15(26)19-4-2-3-5-20(19)25-24(21-12-9-17(27)14-22(21)31-25)30-18-10-6-16(7-11-18)8-13-23(28)29/h2-15,26-27H,1H3,(H,28,29)/b13-8+/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269308
PNG
((E)-3-(4-((6-hydroxy-2- (2-isopropylphenyl)- benzo...)
Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H22O4S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-10-18(27)15-23(22)31-26)30-19-11-7-17(8-12-19)9-14-24(28)29/h3-16,27H,1-2H3,(H,28,29)/b14-9+
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM269484
PNG
(US10058534, 139)
Show SMILES CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50237332
PNG
(CHEMBL4078937)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(CC2CC2)cc1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C29H29NO3/c1-29(24-9-4-20(5-10-24)8-15-28(32)33)27-14-13-26(31)19-23(27)16-17-30(29)25-11-6-22(7-12-25)18-21-2-3-21/h4-15,19,21,31H,2-3,16-18H2,1H3,(H,32,33)/b15-8+
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n/an/a 6.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estrogen-induced transcription preincubated overnight followed by estrog...

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))		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 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B

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))		BDBM50237299
PNG
(CHEMBL4063001)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis

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))		BDBM50237322
PNG
(CHEMBL4088736)
Show SMILES CC(C)Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(\C=C\C(O)=O)cc2)c(F)c1
Show InChI InChI=1S/C29H30FNO3/c1-19(2)16-21-6-12-27(26(30)17-21)31-15-14-22-18-24(32)10-11-25(22)29(31,3)23-8-4-20(5-9-23)7-13-28(33)34/h4-13,17-19,32H,14-16H2,1-3H3,(H,33,34)/b13-7+
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B

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))		BDBM269484
PNG
(US10058534, 139)
Show SMILES CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
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n/an/a 8.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced GREB1 ...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM269377
PNG
(US10058534, 31)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1
Show InChI InChI=1S/C26H20F3NO4S/c27-26(28,29)13-14-30-23(33)12-3-16-1-9-20(10-2-16)34-24-21-11-8-19(32)15-22(21)35-25(24)17-4-6-18(31)7-5-17/h1-12,15,31-32H,13-14H2,(H,30,33)/b12-3+
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...

J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
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