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PubMed code 29562737

Compile data set for download or QSAR
Found 74 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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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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))		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))		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 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
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 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))		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 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))		BDBM269417
PNG
(US10058534, 72)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2c[nH]cn2)cc1
Show InChI InChI=1S/C25H18N2O3S/c28-19-7-4-17(5-8-19)25-24(22-12-9-20(29)13-23(22)31-25)30-21-10-2-16(3-11-21)1-6-18-14-26-15-27-18/h1-15,28-29H,(H,26,27)/b6-1+
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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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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase

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))		BDBM269418
PNG
(US10058534, 73)
Show SMILES Cn1cnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)c1
Show InChI InChI=1S/C26H20N2O3S/c1-28-15-19(27-16-28)7-2-17-3-11-22(12-4-17)31-25-23-13-10-21(30)14-24(23)32-26(25)18-5-8-20(29)9-6-18/h2-16,29-30H,1H3/b7-2+
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n/an/a 17n/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))		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 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))		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 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))		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 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))		BDBM269278
PNG
(US10058534, 2)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H16O5S/c24-16-6-4-15(5-7-16)23-22(19-11-8-17(25)13-20(19)29-23)28-18-9-1-14(2-10-18)3-12-21(26)27/h1-13,24-25H,(H,26,27)/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))		BDBM269405
PNG
((E)-3-(4-((6-hydroxy-2- phenylbenzo[b]thiophen- 3-...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H16O4S/c24-17-9-12-19-20(14-17)28-23(16-4-2-1-3-5-16)22(19)27-18-10-6-15(7-11-18)8-13-21(25)26/h1-14,24H,(H,25,26)/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))		BDBM268606
PNG
(US10058534, 1)
Show SMILES OC(=O)CCc1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H18O5S/c24-16-6-4-15(5-7-16)23-22(19-11-8-17(25)13-20(19)29-23)28-18-9-1-14(2-10-18)3-12-21(26)27/h1-2,4-11,13,24-25H,3,12H2,(H,26,27)
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n/an/a 31n/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))		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 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))		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 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))		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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n/an/a 36n/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))		BDBM269409
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES NC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H17NO4S/c24-21(27)12-3-14-1-9-18(10-2-14)28-22-19-11-8-17(26)13-20(19)29-23(22)15-4-6-16(25)7-5-15/h1-13,25-26H,(H2,24,27)/b12-3+
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase

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 52n/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))		BDBM269411
PNG
((E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b]...)
Show SMILES CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H19NO4S/c1-25-22(28)13-4-15-2-10-19(11-3-15)29-23-20-12-9-18(27)14-21(20)30-24(23)16-5-7-17(26)8-6-16/h2-14,26-27H,1H3,(H,25,28)/b13-4+
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n/an/a 53n/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))		BDBM269417
PNG
(US10058534, 72)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2c[nH]cn2)cc1
Show InChI InChI=1S/C25H18N2O3S/c28-19-7-4-17(5-8-19)25-24(22-12-9-20(29)13-23(22)31-25)30-21-10-2-16(3-11-21)1-6-18-14-26-15-27-18/h1-15,28-29H,(H,26,27)/b6-1+
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n/an/a 53n/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))		BDBM269410
PNG
((E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b]...)
Show SMILES OCCNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H21NO5S/c27-14-13-26-23(30)12-3-16-1-9-20(10-2-16)31-24-21-11-8-19(29)15-22(21)32-25(24)17-4-6-18(28)7-5-17/h1-12,15,27-29H,13-14H2,(H,26,30)/b12-3+
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n/an/a 55n/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))		BDBM269411
PNG
((E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b]...)
Show SMILES CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H19NO4S/c1-25-22(28)13-4-15-2-10-19(11-3-15)29-23-20-12-9-18(27)14-21(20)30-24(23)16-5-7-17(26)8-6-16/h2-14,26-27H,1H3,(H,25,28)/b13-4+
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n/an/a 58n/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))		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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n/an/a 60n/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))		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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n/an/a 78n/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))		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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n/an/a 89n/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))		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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n/an/a 123n/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))		BDBM269470
PNG
((E)-3-(4-((2-(2- (dimethylamino)phenyl)- 6-hydroxy...)
Show SMILES CN(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H21NO4S/c1-26(2)21-6-4-3-5-19(21)25-24(20-13-10-17(27)15-22(20)31-25)30-18-11-7-16(8-12-18)9-14-23(28)29/h3-15,27H,1-2H3,(H,28,29)/b14-9+
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n/an/a 124n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase

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))		BDBM269418
PNG
(US10058534, 73)
Show SMILES Cn1cnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)c1
Show InChI InChI=1S/C26H20N2O3S/c1-28-15-19(27-16-28)7-2-17-3-11-22(12-4-17)31-25-23-13-10-21(30)14-24(23)32-26(25)18-5-8-20(29)9-6-18/h2-16,29-30H,1H3/b7-2+
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n/an/a 125n/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))		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 179n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase

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))		BDBM269459
PNG
((E)-2-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo [b...)
Show SMILES CC\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H20O5S/c1-2-16(25(28)29)13-15-3-10-20(11-4-15)30-23-21-12-9-19(27)14-22(21)31-24(23)17-5-7-18(26)8-6-17/h3-14,26-27H,2H2,1H3,(H,28,29)/b16-13+
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n/an/a 216n/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))		BDBM50245339
PNG
(CHEMBL4080048)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnn[nH]2)cc1
Show InChI InChI=1S/C23H16N4O3S/c28-16-6-4-15(5-7-16)23-22(19-11-8-17(29)13-20(19)31-23)30-18-9-1-14(2-10-18)3-12-21-24-26-27-25-21/h1-13,28-29H,(H,24,25,26,27)/b12-3+
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n/an/a 219n/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))		BDBM269407
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES C\C(=C/C(O)=O)c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H18O5S/c1-14(12-22(27)28)15-4-9-19(10-5-15)29-23-20-11-8-18(26)13-21(20)30-24(23)16-2-6-17(25)7-3-16/h2-13,25-26H,1H3,(H,27,28)/b14-12+
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n/an/a 316n/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))		BDBM269406
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxy-3- methylphenyl...)
Show SMILES Cc1cc(ccc1O)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H18O5S/c1-14-12-16(5-10-20(14)26)24-23(19-9-6-17(25)13-21(19)30-24)29-18-7-2-15(3-8-18)4-11-22(27)28/h2-13,25-26H,1H3,(H,27,28)/b11-4+
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n/an/a 327n/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))		BDBM268606
PNG
(US10058534, 1)
Show SMILES OC(=O)CCc1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H18O5S/c24-16-6-4-15(5-7-16)23-22(19-11-8-17(25)13-20(19)29-23)28-18-9-1-14(2-10-18)3-12-21(26)27/h1-2,4-11,13,24-25H,3,12H2,(H,26,27)
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n/an/a 457n/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))		BDBM269372
PNG
(US10058534, 26)
Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H18O5S/c1-28-18-10-5-16(6-11-18)24-23(20-12-7-17(25)14-21(20)30-24)29-19-8-2-15(3-9-19)4-13-22(26)27/h2-14,25H,1H3,(H,26,27)/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))		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 669n/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))		BDBM269278
PNG
(US10058534, 2)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H16O5S/c24-16-6-4-15(5-7-16)23-22(19-11-8-17(25)13-20(19)29-23)28-18-9-1-14(2-10-18)3-12-21(26)27/h1-13,24-25H,(H,26,27)/b12-3+
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n/an/a 748n/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))		BDBM269374
PNG
(US10058534, 28)
Show SMILES C\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C24H18O5S/c1-14(24(27)28)12-15-2-9-19(10-3-15)29-22-20-11-8-18(26)13-21(20)30-23(22)16-4-6-17(25)7-5-16/h2-13,25-26H,1H3,(H,27,28)/b14-12+
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n/an/a 886n/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))		BDBM269295
PNG
(US10058534, 3)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H15F3O4S/c25-24(26,27)16-6-4-15(5-7-16)23-22(19-11-8-17(28)13-20(19)32-23)31-18-9-1-14(2-10-18)3-12-21(29)30/h1-13,28H,(H,29,30)/b12-3+
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n/an/a 941n/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))		BDBM269402
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES Cc1cc(\C=C\C(O)=O)ccc1Oc1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C24H18O5S/c1-14-12-15(3-11-22(27)28)2-10-20(14)29-23-19-9-8-18(26)13-21(19)30-24(23)16-4-6-17(25)7-5-16/h2-13,25-26H,1H3,(H,27,28)/b11-3+
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n/an/a 1.03E+3n/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))		BDBM269401
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES Cc1cc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)ccc1\C=C\C(O)=O
Show InChI InChI=1S/C24H18O5S/c1-14-12-19(9-4-15(14)5-11-22(27)28)29-23-20-10-8-18(26)13-21(20)30-24(23)16-2-6-17(25)7-3-16/h2-13,25-26H,1H3,(H,27,28)/b11-5+
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n/an/a 1.27E+3n/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))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/a 1.61E+3n/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))		BDBM50245338
PNG
(CHEMBL4074192)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H15FO4S/c24-16-6-4-15(5-7-16)23-22(19-11-8-17(25)13-20(19)29-23)28-18-9-1-14(2-10-18)3-12-21(26)27/h1-13,25H,(H,26,27)/b12-3+
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n/an/a 1.82E+3n/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))		BDBM269405
PNG
((E)-3-(4-((6-hydroxy-2- phenylbenzo[b]thiophen- 3-...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H16O4S/c24-17-9-12-19-20(14-17)28-23(16-4-2-1-3-5-16)22(19)27-18-10-6-15(7-11-18)8-13-21(25)26/h1-14,24H,(H,25,26)/b13-8+
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n/an/a 2.31E+3n/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))		BDBM50245345
PNG
(CHEMBL4069258)
Show SMILES CN(c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H19NO4S/c1-25(17-7-2-15(3-8-17)4-13-22(28)29)23-20-12-11-19(27)14-21(20)30-24(23)16-5-9-18(26)10-6-16/h2-14,26-27H,1H3,(H,28,29)/b13-4+
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n/an/a 3.40E+3n/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))		BDBM269403
PNG
((E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b...)
Show SMILES COc1cc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)ccc1\C=C\C(O)=O
Show InChI InChI=1S/C24H18O6S/c1-29-20-13-18(9-4-14(20)5-11-22(27)28)30-23-19-10-8-17(26)12-21(19)31-24(23)15-2-6-16(25)7-3-15/h2-13,25-26H,1H3,(H,27,28)/b11-5+
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n/an/a 5.02E+3n/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))		BDBM269375
PNG
(US10058534, 29)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cn1
Show InChI InChI=1S/C22H15NO5S/c24-15-5-1-13(2-6-15)22-21(18-9-7-16(25)11-19(18)29-22)28-17-8-3-14(23-12-17)4-10-20(26)27/h1-12,24-25H,(H,26,27)/b10-4+
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n/an/a 7.75E+3n/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))		BDBM50245337
PNG
(CHEMBL4067222)
Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C23H16O4S/c24-17-8-6-16(7-9-17)23-22(19-11-10-18(25)13-20(19)28-23)15-4-1-14(2-5-15)3-12-21(26)27/h1-13,24-25H,(H,26,27)/b12-3+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase

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))		BDBM50245340
PNG
(CHEMBL4076526)
Show SMILES OC(=O)\C=C\c1ccc(Nc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H17NO4S/c25-17-8-4-15(5-9-17)23-22(19-11-10-18(26)13-20(19)29-23)24-16-6-1-14(2-7-16)3-12-21(27)28/h1-13,24-26H,(H,27,28)/b12-3+
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n/an/a>1.00E+4n/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))		BDBM50245346
PNG
(CHEMBL4090303)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C24H16O5S/c25-17-8-6-16(7-9-17)24-22(19-11-10-18(26)13-20(19)30-24)23(29)15-4-1-14(2-5-15)3-12-21(27)28/h1-13,25-26H,(H,27,28)/b12-3+
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%