Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'ohgane' and Initial = 'k'   

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))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1 Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.780	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50437046 (CHEMBL2403356) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50437049 (CHEMBL2403355) Show SMILES CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C19H24O2/c1-5-19(6-2,15-7-9-17(20)13(3)11-15)16-8-10-18(21)14(4)12-16/h7-12,20-21H,5-6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523937 (CHEMBL4473971) Show SMILES CCCC(CCC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H29NO/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,23H,5-6,11-12,22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1 Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50437046 (CHEMBL2403356) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523943 (CHEBI:79724 | CHEMBL2403361) Show SMILES CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C19H24O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h5-12,20-21H,3-4,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523934 (CHEMBL4459248) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC)c(C)c1 Show InChI InChI=1S/C22H31NO/c1-6-12-22(13-7-2,19-9-11-21(24)17(4)15-19)18-8-10-20(23-5)16(3)14-18/h8-11,14-15,23-24H,6-7,12-13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523937 (CHEMBL4473971) Show SMILES CCCC(CCC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H29NO/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,23H,5-6,11-12,22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001015 (CHEMBL2403357) Show SMILES CCCCC(CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C23H32O2/c1-5-7-13-23(14-8-6-2,19-9-11-21(24)17(3)15-19)20-10-12-22(25)18(4)16-20/h9-12,15-16,24-25H,5-8,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523939 (CHEMBL4538877) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OCC)c(C)c1 Show InChI InChI=1S/C25H34O4/c1-6-13-25(14-7-2,20-9-11-22(26)18(4)15-20)21-10-12-23(19(5)16-21)29-17-24(27)28-8-3/h9-12,15-16,26H,6-8,13-14,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001002 (3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50437049 (CHEMBL2403355) Show SMILES CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C19H24O2/c1-5-19(6-2,15-7-9-17(20)13(3)11-15)16-8-10-18(21)14(4)12-16/h7-12,20-21H,5-6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001015 (CHEMBL2403357) Show SMILES CCCCC(CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C23H32O2/c1-5-7-13-23(14-8-6-2,19-9-11-21(24)17(3)15-19)20-10-12-22(25)18(4)16-20/h9-12,15-16,24-25H,5-8,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523931 (Cyclofenil | F 6066 | ICI 48213 | Neoclym | Rehibi...) Show SMILES [#6]-[#6](=O)-[#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6](-[#6])=O)cc1 Show InChI InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523940 (CHEMBL4531047) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)NC)c(C)c1 Show InChI InChI=1S/C24H33NO3/c1-6-12-24(13-7-2,19-8-10-21(26)17(3)14-19)20-9-11-22(18(4)15-20)28-16-23(27)25-5/h8-11,14-15,26H,6-7,12-13,16H2,1-5H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240313 (CHEMBL4103516) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1 Show InChI InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523928 (CHEMBL4585080) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(O)=O)c(C)c1 Show InChI InChI=1S/C24H30O3/c1-5-13-24(14-6-2,21-10-11-22(25)18(4)16-21)20-9-7-19(17(3)15-20)8-12-23(26)27/h7-12,15-16,25H,5-6,13-14H2,1-4H3,(H,26,27)/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523940 (CHEMBL4531047) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)NC)c(C)c1 Show InChI InChI=1S/C24H33NO3/c1-6-12-24(13-7-2,19-8-10-21(26)17(3)14-19)20-9-11-22(18(4)15-20)28-16-23(27)25-5/h8-11,14-15,26H,6-7,12-13,16H2,1-5H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523939 (CHEMBL4538877) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OCC)c(C)c1 Show InChI InChI=1S/C25H34O4/c1-6-13-25(14-7-2,20-9-11-22(26)18(4)15-20)21-10-12-23(19(5)16-21)29-17-24(27)28-8-3/h9-12,15-16,26H,6-8,13-14,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240313 (CHEMBL4103516) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1 Show InChI InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523927 (CHEMBL4449497) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1 Show InChI InChI=1S/C23H33NO/c1-7-13-23(14-8-2,20-10-12-22(25)18(4)16-20)19-9-11-21(24(5)6)17(3)15-19/h9-12,15-16,25H,7-8,13-14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523932 (CHEMBL2403362) Show SMILES CCCCC(CCCC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H28O2/c1-3-5-15-21(16-6-4-2,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-14,22-23H,3-6,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001002 (3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523926 (CHEMBL4449028) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1 Show InChI InChI=1S/C26H36O4/c1-7-13-26(14-8-2,21-9-11-23(27)19(5)15-21)22-10-12-24(20(6)16-22)29-17-25(28)30-18(3)4/h9-12,15-16,18,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523941 (CHEMBL4469862) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)N(C)C)c(C)c1 Show InChI InChI=1S/C25H35NO3/c1-7-13-25(14-8-2,20-9-11-22(27)18(3)15-20)21-10-12-23(19(4)16-21)29-17-24(28)26(5)6/h9-12,15-16,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523941 (CHEMBL4469862) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)N(C)C)c(C)c1 Show InChI InChI=1S/C25H35NO3/c1-7-13-25(14-8-2,20-9-11-22(27)18(3)15-20)21-10-12-23(19(4)16-21)29-17-24(28)26(5)6/h9-12,15-16,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523926 (CHEMBL4449028) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1 Show InChI InChI=1S/C26H36O4/c1-7-13-26(14-8-2,21-9-11-23(27)19(5)15-21)22-10-12-24(20(6)16-22)29-17-25(28)30-18(3)4/h9-12,15-16,18,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523943 (CHEBI:79724 | CHEMBL2403361) Show SMILES CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C19H24O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h5-12,20-21H,3-4,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523932 (CHEMBL2403362) Show SMILES CCCCC(CCCC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H28O2/c1-3-5-15-21(16-6-4-2,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-14,22-23H,3-6,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523938 (CHEBI:34321 | CHEMBL2392777) Show SMILES Cc1cc(ccc1O)C(C)(C)c1ccc(O)c(C)c1 Show InChI InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523936 (CHEMBL4524860) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1 Show InChI InChI=1S/C26H38O2/c1-7-14-26(15-8-2,22-9-11-24(27)20(5)17-22)23-10-12-25(21(6)18-23)28-16-13-19(3)4/h9-12,17-19,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523934 (CHEMBL4459248) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC)c(C)c1 Show InChI InChI=1S/C22H31NO/c1-6-12-22(13-7-2,19-9-11-21(24)17(4)15-19)18-8-10-20(23-5)16(3)14-18/h8-11,14-15,23-24H,6-7,12-13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523927 (CHEMBL4449497) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1 Show InChI InChI=1S/C23H33NO/c1-7-13-23(14-8-2,20-10-12-22(25)18(4)16-20)19-9-11-21(24(5)6)17(3)15-19/h9-12,15-16,25H,7-8,13-14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523935 (CHEMBL4571357) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1 Show InChI InChI=1S/C23H31NO2/c1-6-12-23(13-7-2,20-9-11-22(26)17(4)15-20)19-8-10-21(16(3)14-19)24-18(5)25/h8-11,14-15,26H,6-7,12-13H2,1-5H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523929 (CHEMBL2403360) Show SMILES CCc1cc(ccc1O)C(CC)(CC)c1ccc(O)c(CC)c1 Show InChI InChI=1S/C21H28O2/c1-5-15-13-17(9-11-19(15)22)21(7-3,8-4)18-10-12-20(23)16(6-2)14-18/h9-14,22-23H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523929 (CHEMBL2403360) Show SMILES CCc1cc(ccc1O)C(CC)(CC)c1ccc(O)c(CC)c1 Show InChI InChI=1S/C21H28O2/c1-5-15-13-17(9-11-19(15)22)21(7-3,8-4)18-10-12-20(23)16(6-2)14-18/h9-14,22-23H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523930 (CHEMBL4585892) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(=O)OCC)c(C)c1 Show InChI InChI=1S/C26H34O3/c1-6-15-26(16-7-2,23-12-13-24(27)20(5)18-23)22-11-9-21(19(4)17-22)10-14-25(28)29-8-3/h9-14,17-18,27H,6-8,15-16H2,1-5H3/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523935 (CHEMBL4571357) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1 Show InChI InChI=1S/C23H31NO2/c1-6-12-23(13-7-2,20-9-11-22(26)17(4)15-20)19-8-10-21(16(3)14-19)24-18(5)25/h8-11,14-15,26H,6-7,12-13H2,1-5H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523942 (CHEMBL2403363) Show SMILES CCCC(CCC)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1 Show InChI InChI=1S/C23H32O2/c1-5-13-23(14-6-2,19-9-11-21(24)17(7-3)15-19)20-10-12-22(25)18(8-4)16-20/h9-12,15-16,24-25H,5-8,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	493	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) | Diphenylolpropane | US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50523928 (CHEMBL4585080) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(O)=O)c(C)c1 Show InChI InChI=1S/C24H30O3/c1-5-13-24(14-6-2,21-10-11-22(25)18(4)16-21)20-9-7-19(17(3)15-20)8-12-23(26)27/h7-12,15-16,25H,5-6,13-14H2,1-4H3,(H,26,27)/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523930 (CHEMBL4585892) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(=O)OCC)c(C)c1 Show InChI InChI=1S/C26H34O3/c1-6-15-26(16-7-2,23-12-13-24(27)20(5)18-23)22-11-9-21(19(4)17-22)10-14-25(28)29-8-3/h9-14,17-18,27H,6-8,15-16H2,1-5H3/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	561	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523933 (CHEMBL2403354) Show SMILES Cc1cc(Cc2ccc(O)c(C)c2)ccc1O Show InChI InChI=1S/C15H16O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8,16-17H,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523938 (CHEBI:34321 | CHEMBL2392777) Show SMILES Cc1cc(ccc1O)C(C)(C)c1ccc(O)c(C)c1 Show InChI InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523936 (CHEMBL4524860) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1 Show InChI InChI=1S/C26H38O2/c1-7-14-26(15-8-2,22-9-11-24(27)20(5)17-22)23-10-12-25(21(6)18-23)28-16-13-19(3)4/h9-12,17-19,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair

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