Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50044831   

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 beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50031809 (CHEMBL3360850) Show SMILES [H][C@]1(C(O)c2ccc(O)cc2)[C@@H](N(C1=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H27NO7/c1-31-19-11-7-15(8-12-19)23-22(24(29)16-5-9-18(28)10-6-16)26(30)27(23)17-13-20(32-2)25(34-4)21(14-17)33-3/h5-14,22-24,28-29H,1-4H3/t22-,23+,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031809 (CHEMBL3360850) Show SMILES [H][C@]1(C(O)c2ccc(O)cc2)[C@@H](N(C1=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H27NO7/c1-31-19-11-7-15(8-12-19)23-22(24(29)16-5-9-18(28)10-6-16)26(30)27(23)17-13-20(32-2)25(34-4)21(14-17)33-3/h5-14,22-24,28-29H,1-4H3/t22-,23+,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031813 (CHEMBL3360847) Show SMILES Oc1ccc(cc1)[C@@H]1N(C(=O)C1(c1ccccc1)c1ccccc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031813 (CHEMBL3360847) Show SMILES Oc1ccc(cc1)[C@@H]1N(C(=O)C1(c1ccccc1)c1ccccc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H21NO3/c29-23-15-11-19(12-16-23)25-27(20-7-3-1-4-8-20,21-9-5-2-6-10-21)26(31)28(25)22-13-17-24(30)18-14-22/h1-18,25,29-30H/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20607 ((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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20607 ((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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031811 (CHEMBL3360845) Show SMILES Oc1ccc(cc1)[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H17NO4/c23-16-10-6-14(7-11-16)19-20(26-18-4-2-1-3-5-18)21(25)22(19)15-8-12-17(24)13-9-15/h1-13,19-20,23-24H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031812 (CHEMBL3360846) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H19NO3/c27-21-11-7-17(8-12-21)24-23(19-6-5-16-3-1-2-4-18(16)15-19)25(29)26(24)20-9-13-22(28)14-10-20/h1-15,23-24,27-28H/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20607 ((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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20607 ((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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031810 (CHEMBL3360843) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H17NO3/c23-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)21(25)22(20)16-8-12-18(24)13-9-16/h1-13,19-20,23-24H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031810 (CHEMBL3360843) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H17NO3/c23-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)21(25)22(20)16-8-12-18(24)13-9-16/h1-13,19-20,23-24H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031812 (CHEMBL3360846) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H19NO3/c27-21-11-7-17(8-12-21)24-23(19-6-5-16-3-1-2-4-18(16)15-19)25(29)26(24)20-9-13-22(28)14-10-20/h1-15,23-24,27-28H/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031808 (CHEMBL3360844) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H17NO4/c23-16-7-1-13(2-8-16)19-20(14-3-9-17(24)10-4-14)22(21(19)26)15-5-11-18(25)12-6-15/h1-12,19-20,23-25H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031811 (CHEMBL3360845) Show SMILES Oc1ccc(cc1)[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H17NO4/c23-16-10-6-14(7-11-16)19-20(26-18-4-2-1-3-5-18)21(25)22(19)15-8-12-17(24)13-9-15/h1-13,19-20,23-24H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031808 (CHEMBL3360844) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H17NO4/c23-16-7-1-13(2-8-16)19-20(14-3-9-17(24)10-4-14)22(21(19)26)15-5-11-18(25)12-6-15/h1-12,19-20,23-25H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant ERalpha by FRET assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031814 (CHEMBL3360848) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](N(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C24H23NO6/c1-29-19-12-15(13-20(30-2)23(19)31-3)21-22(14-4-8-17(26)9-5-14)25(24(21)28)16-6-10-18(27)11-7-16/h4-13,21-22,26-27H,1-3H3/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031808 (CHEMBL3360844) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H17NO4/c23-16-7-1-13(2-8-16)19-20(14-3-9-17(24)10-4-14)22(21(19)26)15-5-11-18(25)12-6-15/h1-12,19-20,23-25H/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031816 (CHEMBL3360841) Show SMILES Oc1ccc(cc1)[C@H]1CC(=O)N1c1ccc(O)cc1 |r| Show InChI InChI=1S/C15H13NO3/c17-12-5-1-10(2-6-12)14-9-15(19)16(14)11-3-7-13(18)8-4-11/h1-8,14,17-18H,9H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50031815 (CHEMBL3360849) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C24H23NO6/c1-29-19-12-15(13-20(30-2)23(19)31-3)22-21(14-4-8-17(26)9-5-14)24(28)25(22)16-6-10-18(27)11-7-16/h4-13,21-22,26-27H,1-3H3/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031814 (CHEMBL3360848) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](N(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C24H23NO6/c1-29-19-12-15(13-20(30-2)23(19)31-3)21-22(14-4-8-17(26)9-5-14)25(24(21)28)16-6-10-18(27)11-7-16/h4-13,21-22,26-27H,1-3H3/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031816 (CHEMBL3360841) Show SMILES Oc1ccc(cc1)[C@H]1CC(=O)N1c1ccc(O)cc1 |r| Show InChI InChI=1S/C15H13NO3/c17-12-5-1-10(2-6-12)14-9-15(19)16(14)11-3-7-13(18)8-4-11/h1-8,14,17-18H,9H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50031815 (CHEMBL3360849) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C24H23NO6/c1-29-19-12-15(13-20(30-2)23(19)31-3)22-21(14-4-8-17(26)9-5-14)24(28)25(22)16-6-10-18(27)11-7-16/h4-13,21-22,26-27H,1-3H3/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay				J Med Chem 57: 9370-82 (2014) Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK
					More data for this Ligand-Target Pair