Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50019454   

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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50204813 (CHEMBL241301 | N-(4-(4-hydroxyphenyl)butan-2-yl)-2...) Show SMILES CC(CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204815 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50204802 ((S)-N-(1-(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-5...) Show SMILES C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C41H44N4O3/c1-28-35-25-32(46)17-20-38(35)45(27-30-15-18-33(19-16-30)48-24-23-44-21-9-4-10-22-44)41(28)29(2)42-39(47)26-36-34-13-7-8-14-37(34)43-40(36)31-11-5-3-6-12-31/h3,5-8,11-20,25,29,43,46H,4,9-10,21-24,26-27H2,1-2H3,(H,42,47)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204806 (CHEMBL437190 | N-((S)-1-(1-((S)-4-(2-((S)-3-methyl...) Show SMILES C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CC[C@H](C)C2)cc1 Show InChI InChI=1S/C41H44N4O3/c1-27-19-20-44(25-27)21-22-48-33-16-13-30(14-17-33)26-45-38-18-15-32(46)23-35(38)28(2)41(45)29(3)42-39(47)24-36-34-11-7-8-12-37(34)43-40(36)31-9-5-4-6-10-31/h4-18,23,27,29,43,46H,19-22,24-26H2,1-3H3,(H,42,47)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204796 ((R)-2-(1-(4-(4-(piperidin-1-yl)butoxy)benzyl)-2-ph...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C42H49N3O3/c1-32(16-17-33-18-22-36(46)23-19-33)43-41(47)30-39-38-14-6-7-15-40(38)45(42(39)35-12-4-2-5-13-35)31-34-20-24-37(25-21-34)48-29-11-10-28-44-26-8-3-9-27-44/h2,4-7,12-15,18-25,32,46H,3,8-11,16-17,26-31H2,1H3,(H,43,47)/t32-/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204799 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C36H45N3O3/c1-27(13-14-28-15-17-30(40)18-16-28)37-35(41)26-33-32-25-31(42-24-10-4-9-23-39-21-7-3-8-22-39)19-20-34(32)38-36(33)29-11-5-2-6-12-29/h2,5-6,11-12,15-20,25,27,38,40H,3-4,7-10,13-14,21-24,26H2,1H3,(H,37,41)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204798 ((R)-2-(1-(4-(3-(piperidin-1-yl)propoxy)benzyl)-2-p...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C41H47N3O3/c1-31(15-16-32-17-21-35(45)22-18-32)42-40(46)29-38-37-13-6-7-14-39(37)44(41(38)34-11-4-2-5-12-34)30-33-19-23-36(24-20-33)47-28-10-27-43-25-8-3-9-26-43/h2,4-7,11-14,17-24,31,45H,3,8-10,15-16,25-30H2,1H3,(H,42,46)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204800 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-20-36-18-6-3-7-19-36)22-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50204809 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-7-20-36-18-5-6-19-36)22-31(29)35-33(30)26-8-3-2-4-9-26/h2-4,8-9,12-17,22,24,35,37H,5-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204804 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(12-13-27-14-16-29(39)17-15-27)36-34(40)25-32-31-19-18-30(41-23-9-8-22-38-20-6-3-7-21-38)24-33(31)37-35(32)28-10-4-2-5-11-28/h2,4-5,10-11,14-19,24,26,37,39H,3,6-9,12-13,20-23,25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204803 (2-(2-phenyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)a...) Show SMILES CC(CCc1ccccc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H26N2O/c1-19(16-17-20-10-4-2-5-11-20)27-25(29)18-23-22-14-8-9-15-24(22)28-26(23)21-12-6-3-7-13-21/h2-15,19,28H,16-18H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204805 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C34H41N3O3/c1-25(11-12-26-13-15-28(38)16-14-26)35-33(39)24-31-30-18-17-29(40-22-8-21-37-19-6-3-7-20-37)23-32(30)36-34(31)27-9-4-2-5-10-27/h2,4-5,9-10,13-18,23,25,36,38H,3,6-8,11-12,19-22,24H2,1H3,(H,35,39)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204812 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C36H45N3O3/c1-27(16-17-28-18-20-30(40)21-19-28)37-34(41)26-32-31-14-11-15-33(36(31)38-35(32)29-12-5-2-6-13-29)42-25-10-4-9-24-39-22-7-3-8-23-39/h2,5-6,11-15,18-21,27,38,40H,3-4,7-10,16-17,22-26H2,1H3,(H,37,41)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204795 ((R)-2-(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-2-ph...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C40H45N3O3/c1-30(14-15-31-16-20-34(44)21-17-31)41-39(45)28-37-36-12-6-7-13-38(36)43(40(37)33-10-4-2-5-11-33)29-32-18-22-35(23-19-32)46-27-26-42-24-8-3-9-25-42/h2,4-7,10-13,16-23,30,44H,3,8-9,14-15,24-29H2,1H3,(H,41,45)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204817 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C32H37N3O3/c1-23(9-10-24-11-13-26(36)14-12-24)33-31(37)22-29-28-16-15-27(38-20-19-35-17-5-6-18-35)21-30(28)34-32(29)25-7-3-2-4-8-25/h2-4,7-8,11-16,21,23,34,36H,5-6,9-10,17-20,22H2,1H3,(H,33,37)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204818 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(15-16-27-17-19-29(39)20-18-27)36-33(40)25-31-30-13-10-14-32(35(30)37-34(31)28-11-4-2-5-12-28)41-24-9-8-23-38-21-6-3-7-22-38/h2,4-5,10-14,17-20,26,37,39H,3,6-9,15-16,21-25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204814 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(12-13-27-14-16-29(39)17-15-27)36-34(40)25-32-31-24-30(41-23-9-8-22-38-20-6-3-7-21-38)18-19-33(31)37-35(32)28-10-4-2-5-11-28/h2,4-5,10-11,14-19,24,26,37,39H,3,6-9,12-13,20-23,25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204797 ((S)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204816 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C34H41N3O3/c1-25(11-12-26-13-15-28(38)16-14-26)35-33(39)24-31-30-23-29(40-22-8-21-37-19-6-3-7-20-37)17-18-32(30)36-34(31)27-9-4-2-5-10-27/h2,4-5,9-10,13-18,23,25,36,38H,3,6-8,11-12,19-22,24H2,1H3,(H,35,39)/t25-/m1/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204807 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C34H41N3O3/c1-25(14-15-26-16-18-28(38)19-17-26)35-32(39)24-30-29-12-8-13-31(40-23-9-22-37-20-6-3-7-21-37)34(29)36-33(30)27-10-4-2-5-11-27/h2,4-5,8,10-13,16-19,25,36,38H,3,6-7,9,14-15,20-24H2,1H3,(H,35,39)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204813 (CHEMBL241301 | N-(4-(4-hydroxyphenyl)butan-2-yl)-2...) Show SMILES CC(CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204815 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204796 ((R)-2-(1-(4-(4-(piperidin-1-yl)butoxy)benzyl)-2-ph...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C42H49N3O3/c1-32(16-17-33-18-22-36(46)23-19-33)43-41(47)30-39-38-14-6-7-15-40(38)45(42(39)35-12-4-2-5-13-35)31-34-20-24-37(25-21-34)48-29-11-10-28-44-26-8-3-9-27-44/h2,4-7,12-15,18-25,32,46H,3,8-11,16-17,26-31H2,1H3,(H,43,47)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204801 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C40H43N3O4/c1-29(14-15-30-16-20-33(44)21-17-30)41-38(45)28-36-35-12-6-7-13-37(35)43(39(36)31-10-4-2-5-11-31)40(46)32-18-22-34(23-19-32)47-27-26-42-24-8-3-9-25-42/h2,4-7,10-13,16-23,29,44H,3,8-9,14-15,24-28H2,1H3,(H,41,45)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204802 ((S)-N-(1-(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-5...) Show SMILES C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C41H44N4O3/c1-28-35-25-32(46)17-20-38(35)45(27-30-15-18-33(19-16-30)48-24-23-44-21-9-4-10-22-44)41(28)29(2)42-39(47)26-36-34-13-7-8-14-37(34)43-40(36)31-11-5-3-6-12-31/h3,5-8,11-20,25,29,43,46H,4,9-10,21-24,26-27H2,1-2H3,(H,42,47)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204808 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-22-28(39-21-20-36-18-6-3-7-19-36)16-17-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204804 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(12-13-27-14-16-29(39)17-15-27)36-34(40)25-32-31-19-18-30(41-23-9-8-22-38-20-6-3-7-21-38)24-33(31)37-35(32)28-10-4-2-5-11-28/h2,4-5,10-11,14-19,24,26,37,39H,3,6-9,12-13,20-23,25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204798 ((R)-2-(1-(4-(3-(piperidin-1-yl)propoxy)benzyl)-2-p...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C41H47N3O3/c1-31(15-16-32-17-21-35(45)22-18-32)42-40(46)29-38-37-13-6-7-14-39(37)44(41(38)34-11-4-2-5-12-34)30-33-19-23-36(24-20-33)47-28-10-27-43-25-8-3-9-26-43/h2,4-7,11-14,17-24,31,45H,3,8-10,15-16,25-30H2,1H3,(H,42,46)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	426	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204810 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(13-14-25-15-17-27(37)18-16-25)34-31(38)23-29-28-11-8-12-30(39-22-21-36-19-6-3-7-20-36)33(28)35-32(29)26-9-4-2-5-10-26/h2,4-5,8-12,15-18,24,35,37H,3,6-7,13-14,19-23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204806 (CHEMBL437190 | N-((S)-1-(1-((S)-4-(2-((S)-3-methyl...) Show SMILES C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CC[C@H](C)C2)cc1 Show InChI InChI=1S/C41H44N4O3/c1-27-19-20-44(25-27)21-22-48-33-16-13-30(14-17-33)26-45-38-18-15-32(46)23-35(38)28(2)41(45)29(3)42-39(47)24-36-34-11-7-8-12-37(34)43-40(36)31-9-5-4-6-10-31/h4-18,23,27,29,43,46H,19-22,24-26H2,1-3H3,(H,42,47)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204795 ((R)-2-(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-2-ph...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C40H45N3O3/c1-30(14-15-31-16-20-34(44)21-17-31)41-39(45)28-37-36-12-6-7-13-38(36)43(40(37)33-10-4-2-5-11-33)29-32-18-22-35(23-19-32)46-27-26-42-24-8-3-9-25-42/h2,4-7,10-13,16-23,30,44H,3,8-9,14-15,24-29H2,1H3,(H,41,45)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	606	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50204811 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cccc(OCCN3CCCCC3)c12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(13-14-25-15-17-27(37)18-16-25)34-31(38)23-28-32-29(35-33(28)26-9-4-2-5-10-26)11-8-12-30(32)39-22-21-36-19-6-3-7-20-36/h2,4-5,8-12,15-18,24,35,37H,3,6-7,13-14,19-23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204800 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-20-36-18-6-3-7-19-36)22-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204797 ((S)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204801 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C40H43N3O4/c1-29(14-15-30-16-20-33(44)21-17-30)41-38(45)28-36-35-12-6-7-13-37(35)43(39(36)31-10-4-2-5-11-31)40(46)32-18-22-34(23-19-32)47-27-26-42-24-8-3-9-25-42/h2,4-7,10-13,16-23,29,44H,3,8-9,14-15,24-28H2,1H3,(H,41,45)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204812 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C36H45N3O3/c1-27(16-17-28-18-20-30(40)21-19-28)37-34(41)26-32-31-14-11-15-33(36(31)38-35(32)29-12-5-2-6-13-29)42-25-10-4-9-24-39-22-7-3-8-23-39/h2,5-6,11-15,18-21,27,38,40H,3-4,7-10,16-17,22-26H2,1H3,(H,37,41)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204805 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C34H41N3O3/c1-25(11-12-26-13-15-28(38)16-14-26)35-33(39)24-31-30-18-17-29(40-22-8-21-37-19-6-3-7-20-37)23-32(30)36-34(31)27-9-4-2-5-10-27/h2,4-5,9-10,13-18,23,25,36,38H,3,6-8,11-12,19-22,24H2,1H3,(H,35,39)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204809 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-7-20-36-18-5-6-19-36)22-31(29)35-33(30)26-8-3-2-4-9-26/h2-4,8-9,12-17,22,24,35,37H,5-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204799 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C36H45N3O3/c1-27(13-14-28-15-17-30(40)18-16-28)37-35(41)26-33-32-25-31(42-24-10-4-9-23-39-21-7-3-8-22-39)19-20-34(32)38-36(33)29-11-5-2-6-12-29/h2,5-6,11-12,15-20,25,27,38,40H,3-4,7-10,13-14,21-24,26H2,1H3,(H,37,41)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204807 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C34H41N3O3/c1-25(14-15-26-16-18-28(38)19-17-26)35-32(39)24-30-29-12-8-13-31(40-23-9-22-37-20-6-3-7-21-37)34(29)36-33(30)27-10-4-2-5-11-27/h2,4-5,8,10-13,16-19,25,36,38H,3,6-7,9,14-15,20-24H2,1H3,(H,35,39)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204818 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(15-16-27-17-19-29(39)20-18-27)36-33(40)25-31-30-13-10-14-32(35(30)37-34(31)28-11-4-2-5-12-28)41-24-9-8-23-38-21-6-3-7-22-38/h2,4-5,10-14,17-20,26,37,39H,3,6-9,15-16,21-25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204817 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C32H37N3O3/c1-23(9-10-24-11-13-26(36)14-12-24)33-31(37)22-29-28-16-15-27(38-20-19-35-17-5-6-18-35)21-30(28)34-32(29)25-7-3-2-4-8-25/h2-4,7-8,11-16,21,23,34,36H,5-6,9-10,17-20,22H2,1H3,(H,33,37)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204803 (2-(2-phenyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)a...) Show SMILES CC(CCc1ccccc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H26N2O/c1-19(16-17-20-10-4-2-5-11-20)27-25(29)18-23-22-14-8-9-15-24(22)28-26(23)21-12-6-3-7-13-21/h2-15,19,28H,16-18H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204814 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(12-13-27-14-16-29(39)17-15-27)36-34(40)25-32-31-24-30(41-23-9-8-22-38-20-6-3-7-21-38)18-19-33(31)37-35(32)28-10-4-2-5-11-28/h2,4-5,10-11,14-19,24,26,37,39H,3,6-9,12-13,20-23,25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204811 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cccc(OCCN3CCCCC3)c12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(13-14-25-15-17-27(37)18-16-25)34-31(38)23-28-32-29(35-33(28)26-9-4-2-5-10-26)11-8-12-30(32)39-22-21-36-19-6-3-7-20-36/h2,4-5,8-12,15-18,24,35,37H,3,6-7,13-14,19-23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204808 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-22-28(39-21-20-36-18-6-3-7-19-36)16-17-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204810 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(13-14-25-15-17-27(37)18-16-25)34-31(38)23-29-28-11-8-12-30(39-22-21-36-19-6-3-7-20-36)33(28)35-32(29)26-9-4-2-5-10-26/h2,4-5,8-12,15-18,24,35,37H,3,6-7,13-14,19-23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50204816 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C34H41N3O3/c1-25(11-12-26-13-15-28(38)16-14-26)35-33(39)24-31-30-23-29(40-22-8-21-37-19-6-3-7-20-37)17-18-32(30)36-34(31)27-9-4-2-5-10-27/h2,4-5,9-10,13-18,23,25,36,38H,3,6-8,11-12,19-22,24H2,1H3,(H,35,39)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
					More data for this Ligand-Target Pair