Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'dodge' and Initial = 'ja'   

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))	BDBM50212159 (2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...) Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212148 (6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.170	-55.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50212148 (6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-54.9	n/a	n/a	0.660	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19964 (6-(4-hydroxyphenyl)-5-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO3/c32-25-9-6-23(7-10-25)28-14-8-24-21-26(33)11-15-29(24)30(28)20-22-4-12-27(13-5-22)34-19-18-31-16-2-1-3-17-31/h4-15,21,32-33H,1-3,16-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.200	-54.8	n/a	n/a	1.14	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212157 (6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212149 (6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212160 (3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50055569 (CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[...) Show SMILES CCCCc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H35NO3S/c1-2-3-7-23-8-10-25(11-9-23)32-30(28-17-14-26(34)22-29(28)37-32)31(35)24-12-15-27(16-13-24)36-21-20-33-18-5-4-6-19-33/h8-17,22,34H,2-7,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from ERalpha after 4 hrs by scintillation counting				ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50055569 (CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[...) Show SMILES CCCCc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H35NO3S/c1-2-3-7-23-8-10-25(11-9-23)32-30(28-17-14-26(34)22-29(28)37-32)31(35)24-12-15-27(16-13-24)36-21-20-33-18-5-4-6-19-33/h8-17,22,34H,2-7,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to ERalpha ligand binding domain				ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	-54.3	n/a	n/a	3.18	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19986 ((2R,6S,7R)-7-(4-hydroxyphenyl)-10-methyl-8-oxatric...) Show SMILES Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C19H20O3/c1-11-9-14(21)10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(20)8-6-12/h5-10,15-16,19-21H,2-4H2,1H3/t15-,16+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19987 ((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...) Show SMILES COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.280	-54.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19987 ((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...) Show SMILES COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.280	-54.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212157 (6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	-53.8	n/a	n/a	3.18	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50181362 ((R)-(+)-7,9-difluoro-5-[4-(2-piperidin-1-ylethoxy)...) Show SMILES Oc1ccc2c3[C@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H27F2NO3/c31-21-17-26-25-10-6-20-16-22(34)7-11-24(20)28(25)29(36-30(26)27(32)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33/h4-11,16-18,29,34H,1-3,12-15H2/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]17beta-estradiol from ERalpha				J Med Chem 49: 843-6 (2006) Article DOI: 10.1021/jm0509795 BindingDB Entry DOI: 10.7270/Q20R9Q60
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19985 ((2R,4S,6S,7R)-7-(4-hydroxyphenyl)-4-methyl-8-oxatr...) Show SMILES [H][C@@]1(C)C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 |r| Show InChI InChI=1S/C19H20O3/c1-11-8-15-16-10-14(21)6-7-18(16)22-19(17(15)9-11)12-2-4-13(20)5-3-12/h2-7,10-11,15,17,19-21H,8-9H2,1H3/t11-,15-,17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	-53.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212147 (6-(4-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212160 (3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19977 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cccc(O)c2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-9-7-11(8-10-12)18-14-4-1-3-13(14)17-15(20)5-2-6-16(17)21-18/h2,5-10,13-14,18-20H,1,3-4H2/t13-,14+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 3570-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.051 BindingDB Entry DOI: 10.7270/Q2H70D30
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212149 (6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.370	-53.3	n/a	n/a	4.32	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from ERalpha after 4 hrs by scintillation counting				ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to ERalpha ligand binding domain				ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6
					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 Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from ERalpha after 4 hrs by scintillation counting				ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (Homo sapiens (Human))	BDBM50212153 (4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H34N2O5S/c1-32(2)39(35,36)28-14-6-23(7-15-28)29-16-8-24-22-25(34)9-17-30(24)31(29)38-27-12-10-26(11-13-27)37-21-20-33-18-4-3-5-19-33/h6-17,22,34H,3-5,18-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19983 ((2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluorometh...) Show SMILES [H][C@@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14+,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	-53.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.430	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 to ERalpha (unknown origin)				Bioorg Med Chem 24: 759-67 (2016) Article DOI: 10.1016/j.bmc.2015.12.045 BindingDB Entry DOI: 10.7270/Q2GX4FJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19982 ((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12 |r| Show InChI InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.440	-52.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19982 ((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12 |r| Show InChI InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.440	-52.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19966 (6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.470	-52.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 3570-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.051 BindingDB Entry DOI: 10.7270/Q2H70D30
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212147 (6-(4-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212155 (2-(4-(ethylsulfonyl)phenyl)-3-(4-(2-(piperidin-1-y...) Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H31NO5S2/c1-2-37(32,33)25-13-6-21(7-14-25)29-28(26-15-8-22(31)20-27(26)36-29)35-24-11-9-23(10-12-24)34-19-18-30-16-4-3-5-17-30/h6-15,20,31H,2-5,16-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
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 beta (Homo sapiens (Human))	BDBM50181362 ((R)-(+)-7,9-difluoro-5-[4-(2-piperidin-1-ylethoxy)...) Show SMILES Oc1ccc2c3[C@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H27F2NO3/c31-21-17-26-25-10-6-20-16-22(34)7-11-24(20)28(25)29(36-30(26)27(32)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33/h4-11,16-18,29,34H,1-3,12-15H2/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Displacement of [3H]17beta-estradiol from ERbeta				J Med Chem 49: 843-6 (2006) Article DOI: 10.1021/jm0509795 BindingDB Entry DOI: 10.7270/Q20R9Q60
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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))	BDBM19966 (6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.510	-52.5	n/a	n/a	10.7	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from ERbeta after 4 hrs by scintillation counting				ACS Med Chem Lett 3: 207-210 (2012) Article DOI: 10.1021/ml2002532 BindingDB Entry DOI: 10.7270/Q23F4QP6
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19990 ((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...) Show SMILES COCc1cc(O)cc2[C@@H]3CC(F)(F)C[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.530	-52.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50212158 (4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					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))	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

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