Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'tria' and Initial = 'gs'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM269484 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM269467 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269467 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269454 ((E)-3-(4-((6-hydroxy-2- (2-(2,2,2- trifluoroethyl)...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2CC(F)(F)F)cc1 Show InChI InChI=1S/C25H17F3O4S/c26-25(27,28)14-16-3-1-2-4-19(16)24-23(20-11-8-17(29)13-21(20)33-24)32-18-9-5-15(6-10-18)7-12-22(30)31/h1-13,29H,14H2,(H,30,31)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269453 ((E)-3-(4-((2-(5-fluoro- 2-(2,2,2- trifluoroethyl)p...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2CC(F)(F)F)cc1 Show InChI InChI=1S/C25H16F4O4S/c26-16-5-4-15(13-25(27,28)29)20(11-16)24-23(19-9-6-17(30)12-21(19)34-24)33-18-7-1-14(2-8-18)3-10-22(31)32/h1-12,30H,13H2,(H,31,32)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269431 ((E)-3-(4-((2-(2-(sec- butyl)phenyl)-6- hydroxybenz...) Show SMILES CCC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H24O4S/c1-3-17(2)21-6-4-5-7-22(21)27-26(23-14-11-19(28)16-24(23)32-27)31-20-12-8-18(9-13-20)10-15-25(29)30/h4-17,28H,3H2,1-2H3,(H,29,30)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269433 ((E)-3-(4-((2-(4-fluoro- 2-(2,2,2- trifluoroethyl)p...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2CC(F)(F)F)cc1 Show InChI InChI=1S/C25H16F4O4S/c26-16-4-8-19(15(11-16)13-25(27,28)29)24-23(20-9-5-17(30)12-21(20)34-24)33-18-6-1-14(2-7-18)3-10-22(31)32/h1-12,30H,13H2,(H,31,32)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269446 ((E)-3-(4-((7-fluoro-6- hydroxy-2-(2- isopropylphen...) Show SMILES CC(C)c1ccccc1-c1sc2c(F)c(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H21FO4S/c1-15(2)18-5-3-4-6-19(18)26-24(20-12-13-21(28)23(27)25(20)32-26)31-17-10-7-16(8-11-17)9-14-22(29)30/h3-15,28H,1-2H3,(H,29,30)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269484 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM269456 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269456 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/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 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269432 ((E)-3-(4-((2-(2- cyclopentylphenyl)-6- hydroxybenz...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCCC2)cc1 Show InChI InChI=1S/C28H24O4S/c29-20-12-15-24-25(17-20)33-28(23-8-4-3-7-22(23)19-5-1-2-6-19)27(24)32-21-13-9-18(10-14-21)11-16-26(30)31/h3-4,7-17,19,29H,1-2,5-6H2,(H,30,31)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269308 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269434 ((E)-3-(4-((2-(2- cyclobutylphenyl)-6- hydroxybenzo...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCC2)cc1 Show InChI InChI=1S/C27H22O4S/c28-19-11-14-23-24(16-19)32-27(22-7-2-1-6-21(22)18-4-3-5-18)26(23)31-20-12-8-17(9-13-20)10-15-25(29)30/h1-2,6-16,18,28H,3-5H2,(H,29,30)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269455 ((E)-3-(4-((2-(4-fluoro- 2-isopropylphenyl)-6- hydr...) Show SMILES CC(C)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H21FO4S/c1-15(2)22-13-17(27)6-10-20(22)26-25(21-11-7-18(28)14-23(21)32-26)31-19-8-3-16(4-9-19)5-12-24(29)30/h3-15,28H,1-2H3,(H,29,30)/b12-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50090462 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269447 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-1,3,...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1 Show InChI InChI=1S/C28H24N2O3S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(31)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-30-29-18(3)32-26/h4-17,31H,1-3H3/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269457 ((E)-3-(4-((6-hydroxy-2- (2- (trifluoromethoxy)phen...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C24H15F3O5S/c25-24(26,27)32-19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)33-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269399 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269377 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269366 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269364 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269363 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269357 ((E)-3-(4-((2-(2,4- bis(trifluoromethyl) phenyl)-6-...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C25H14F6O4S/c26-24(27,28)14-4-8-17(19(11-14)25(29,30)31)23-22(18-9-5-15(32)12-20(18)36-23)35-16-6-1-13(2-7-16)3-10-21(33)34/h1-12,32H,(H,33,34)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269354 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269354 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269366 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269377 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	5.1	37
Novartis AG US Patent					Assay Description The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269364 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269363 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269468 ((E)-3-(4-((6-hydroxy-2- (2-(oxetan-3- yl)phenyl)be...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2COC2)cc1 Show InChI InChI=1S/C26H20O5S/c27-18-8-11-22-23(13-18)32-26(21-4-2-1-3-20(21)17-14-30-15-17)25(22)31-19-9-5-16(6-10-19)7-12-24(28)29/h1-13,17,27H,14-15H2,(H,28,29)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269450 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-4H-1...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)[nH]2)cc1 Show InChI InChI=1S/C28H25N3O2S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(32)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-29-18(3)30-31-26/h4-17,32H,1-3H3,(H,29,30,31)/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269435 ((E)-3-(4-((2-(3-fluoro- 2- (trifluoromethyl) pheny...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cccc(F)c2C(F)(F)F)cc1 Show InChI InChI=1S/C24H14F4O4S/c25-18-3-1-2-17(21(18)24(26,27)28)23-22(16-10-7-14(29)12-19(16)33-23)32-15-8-4-13(5-9-15)6-11-20(30)31/h1-12,29H,(H,30,31)/b11-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269447 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-1,3,...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1 Show InChI InChI=1S/C28H24N2O3S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(31)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-30-29-18(3)32-26/h4-17,31H,1-3H3/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	5.1	37
Novartis AG US Patent					Assay Description The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50238741 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269469 ((E)-3-(4-((6-hydroxy-2- (2-isopropyl-6- methylphen...) Show SMILES CC(C)c1cccc(C)c1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |(1.29,-7.98,;1.29,-6.44,;-.04,-5.67,;2.63,-5.67,;3.96,-6.44,;5.3,-5.67,;5.3,-4.13,;3.96,-3.36,;3.96,-1.82,;2.63,-4.13,;1.22,-3.5,;-.03,-4.41,;-1.27,-3.5,;-2.78,-3.82,;-3.81,-2.68,;-5.3,-3.08,;-3.33,-1.21,;-1.83,-.89,;-.8,-2.04,;.74,-2.04,;1.83,-.95,;1.44,.54,;2.52,1.63,;2.13,3.12,;.64,3.51,;.24,5,;-1.25,5.4,;-1.65,6.89,;-3.13,7.29,;-.56,7.98,;-.45,2.43,;-.05,.94,)| Show InChI InChI=1S/C27H24O4S/c1-16(2)21-6-4-5-17(3)25(21)27-26(22-13-10-19(28)15-23(22)32-27)31-20-11-7-18(8-12-20)9-14-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269422 ((E)-3-(4-((2-(2- ((dimethylamino)methyl) phenyl)-6...) Show SMILES CN(C)Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H23NO4S/c1-27(2)16-18-5-3-4-6-21(18)26-25(22-13-10-19(28)15-23(22)32-26)31-20-11-7-17(8-12-20)9-14-24(29)30/h3-15,28H,16H2,1-2H3,(H,29,30)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269438 (3-(4-((6-hydroxy-2-(2- isopropylphenyl)benzo [b]th...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C26H24O4S/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/h3-8,10-13,15-16,27H,9,14H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269441 ((E)-3-(4-((6-hydroxy-2- (2-((2-methyl-2H- tetrazol...) Show SMILES Cn1nnc(Cc2ccccc2-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)n1 Show InChI InChI=1S/C26H20N4O4S/c1-30-28-23(27-29-30)14-17-4-2-3-5-20(17)26-25(21-12-9-18(31)15-22(21)35-26)34-19-10-6-16(7-11-19)8-13-24(32)33/h2-13,15,31H,14H2,1H3,(H,32,33)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269440 ((E)-3-(4-((2-(5-fluoro- 2- (trifluoromethyl) pheny...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H14F4O4S/c25-14-4-9-19(24(26,27)28)18(11-14)23-22(17-8-5-15(29)12-20(17)33-23)32-16-6-1-13(2-7-16)3-10-21(30)31/h1-12,29H,(H,30,31)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269359 ((E)-3-(4-((2-(2,3- dimethylphenyl)-6- hydroxybenzo...) Show SMILES Cc1cccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c1C Show InChI InChI=1S/C25H20O4S/c1-15-4-3-5-20(16(15)2)25-24(21-12-9-18(26)14-22(21)30-25)29-19-10-6-17(7-11-19)8-13-23(27)28/h3-14,26H,1-2H3,(H,27,28)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269458 ((E)-2-(4-((6-hydroxy-2- (2- isopropylphenyl)benzo ...) Show SMILES CC\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(C)C)cc1)C(O)=O Show InChI InChI=1S/C28H26O4S/c1-4-19(28(30)31)15-18-9-12-21(13-10-18)32-26-24-14-11-20(29)16-25(24)33-27(26)23-8-6-5-7-22(23)17(2)3/h5-17,29H,4H2,1-3H3,(H,30,31)/b19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269463 ((E)-3-(4-((6-hydroxy-2- (2- isopropylphenyl)benzo ...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H23NO3S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-12-19(28)15-23(22)31-26)27-18-10-7-17(8-11-18)9-14-24(29)30/h3-16,27-28H,1-2H3,(H,29,30)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50180684 (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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269400 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269400 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	5.1	37
Novartis AG US Patent					Assay Description The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269425 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM269425 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair

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