Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50013268   

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))	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 PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (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 PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50128396 (2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128392 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c32-25-9-6-23(7-10-25)28-14-8-24-20-26(33)11-15-29(24)31(28)21-22-4-12-27(13-5-22)34-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,28,32-33H,1-3,8,14,16-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128402 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128394 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-24-8-5-22(6-9-24)27-13-7-23-19-25(32)10-14-28(23)30(27)20-21-3-11-26(12-4-21)33-18-17-29-15-1-2-16-29/h3-6,8-12,14,19,27,31-32H,1-2,7,13,15-18,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128400 (2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,...) Show SMILES Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1 Show InChI InChI=1S/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128403 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128402 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128400 (2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,...) Show SMILES Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1 Show InChI InChI=1S/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (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 PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128392 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c32-25-9-6-23(7-10-25)28-14-8-24-20-26(33)11-15-29(24)31(28)21-22-4-12-27(13-5-22)34-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,28,32-33H,1-3,8,14,16-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128394 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-24-8-5-22(6-9-24)27-13-7-23-19-25(32)10-14-28(23)30(27)20-21-3-11-26(12-4-21)33-18-17-29-15-1-2-16-29/h3-6,8-12,14,19,27,31-32H,1-2,7,13,15-18,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128396 (2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128403 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128397 ((6-Hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-...) Show SMILES Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128398 (2-(4-Hydroxy-phenyl)-quinolin-6-ol | CHEMBL59438) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2n1 Show InChI InChI=1S/C15H11NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-9,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128393 (CHEMBL59311 | [6-Hydroxy-2-(3-hydroxy-phenyl)-3,4-...) Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)31(27)29(34)21-7-11-26(12-8-21)35-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,27,32-33H,1-3,9,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128399 (2-(4-Hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-6...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1 Show InChI InChI=1S/C15H15NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-2,4-6,8-9,14,16-18H,3,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128401 (CHEMBL56166 | [6-Hydroxy-2-(4-hydroxy-phenyl)-3,4-...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)31(27)29(34)22-6-12-26(13-7-22)35-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,27,32-33H,1-3,8,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128399 (2-(4-Hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-6...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1 Show InChI InChI=1S/C15H15NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-2,4-6,8-9,14,16-18H,3,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50128398 (2-(4-Hydroxy-phenyl)-quinolin-6-ol | CHEMBL59438) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2n1 Show InChI InChI=1S/C15H11NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-9,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128397 ((6-Hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-...) Show SMILES Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128401 (CHEMBL56166 | [6-Hydroxy-2-(4-hydroxy-phenyl)-3,4-...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)31(27)29(34)22-6-12-26(13-7-22)35-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,27,32-33H,1-3,8,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128393 (CHEMBL59311 | [6-Hydroxy-2-(3-hydroxy-phenyl)-3,4-...) Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)31(27)29(34)21-7-11-26(12-8-21)35-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,27,32-33H,1-3,9,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor beta				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128394 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-24-8-5-22(6-9-24)27-13-7-23-19-25(32)10-14-28(23)30(27)20-21-3-11-26(12-4-21)33-18-17-29-15-1-2-16-29/h3-6,8-12,14,19,27,31-32H,1-2,7,13,15-18,20H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128392 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c32-25-9-6-23(7-10-25)28-14-8-24-20-26(33)11-15-29(24)31(28)21-22-4-12-27(13-5-22)34-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,28,32-33H,1-3,8,14,16-19,21H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128396 (2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128400 (2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,...) Show SMILES Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1 Show InChI InChI=1S/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128402 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128393 (CHEMBL59311 | [6-Hydroxy-2-(3-hydroxy-phenyl)-3,4-...) Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)31(27)29(34)21-7-11-26(12-8-21)35-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,27,32-33H,1-3,9,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128403 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128397 ((6-Hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-...) Show SMILES Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50128401 (CHEMBL56166 | [6-Hydroxy-2-(4-hydroxy-phenyl)-3,4-...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)31(27)29(34)22-6-12-26(13-7-22)35-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,27,32-33H,1-3,8,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
					More data for this Ligand-Target Pair