Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'adamski' and Initial = 's'   

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))	BDBM50162799 ((2R,3R,4S)-2-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-5-f...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H34FNO4/c1-20-27(21-6-10-23(33)11-7-21)30(36-26-15-14-25(34)29(31)28(20)26)22-8-12-24(13-9-22)35-19-18-32-16-4-2-3-5-17-32/h6-15,20,27,30,33-34H,2-5,16-19H2,1H3/t20-,27+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162804 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H32FNO4/c1-18(31-15-3-4-16-31)17-34-23-11-7-21(8-12-23)29-26(20-5-9-22(32)10-6-20)19(2)27-25(35-29)14-13-24(33)28(27)30/h5-14,18-19,26,29,32-33H,3-4,15-17H2,1-2H3/t18-,19-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162794 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162807 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCC[C@H]1C Show InChI InChI=1S/C30H34FNO4/c1-18-5-4-16-32(18)19(2)17-35-24-12-8-22(9-13-24)30-27(21-6-10-23(33)11-7-21)20(3)28-26(36-30)15-14-25(34)29(28)31/h6-15,18-20,27,30,33-34H,4-5,16-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144849 ((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50162812 ((2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50162809 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19+,26-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162801 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162796 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162805 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H30FNO4/c1-18-25(19-4-8-21(31)9-5-19)28(34-24-13-12-23(32)27(29)26(18)24)20-6-10-22(11-7-20)33-17-16-30-14-2-3-15-30/h4-13,18,25,28,31-32H,2-3,14-17H2,1H3/t18-,25+,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50162811 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...) Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162806 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[(S)...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H35NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-21,29-30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,21-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50162800 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-((S)...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H33NO4/c1-19(30-15-3-4-16-30)18-33-25-12-7-22(8-13-25)29-28(21-5-9-23(31)10-6-21)20(2)26-17-24(32)11-14-27(26)34-29/h5-14,17,19-20,28-29,31-32H,3-4,15-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162802 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-19-24(32)11-14-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162803 ((2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PY...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50162813 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...) Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162795 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19-,20-,27+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162807 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCC[C@H]1C Show InChI InChI=1S/C30H34FNO4/c1-18-5-4-16-32(18)19(2)17-35-24-12-8-22(9-13-24)30-27(21-6-10-23(33)11-7-21)20(3)28-26(36-30)15-14-25(34)29(28)31/h6-15,18-20,27,30,33-34H,4-5,16-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162800 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-((S)...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H33NO4/c1-19(30-15-3-4-16-30)18-33-25-12-7-22(8-13-25)29-28(21-5-9-23(31)10-6-21)20(2)26-17-24(32)11-14-27(26)34-29/h5-14,17,19-20,28-29,31-32H,3-4,15-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162805 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H30FNO4/c1-18-25(19-4-8-21(31)9-5-19)28(34-24-13-12-23(32)27(29)26(18)24)20-6-10-22(11-7-20)33-17-16-30-14-2-3-15-30/h4-13,18,25,28,31-32H,2-3,14-17H2,1H3/t18-,25+,28-/m0/s1	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 Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162803 ((2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PY...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162794 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/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 Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162808 ((2R,3R,4S)-4-Ethyl-3-(4-hydroxy-phenyl)-2-[4-(2-pi...) Show SMILES CC[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H35NO4/c1-2-26-27-20-24(33)12-15-28(27)35-30(29(26)21-6-10-23(32)11-7-21)22-8-13-25(14-9-22)34-19-18-31-16-4-3-5-17-31/h6-15,20,26,29-30,32-33H,2-5,16-19H2,1H3/t26-,29+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162813 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...) Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162801 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162799 ((2R,3R,4S)-2-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-5-f...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H34FNO4/c1-20-27(21-6-10-23(33)11-7-21)30(36-26-15-14-25(34)29(31)28(20)26)22-8-12-24(13-9-22)35-19-18-32-16-4-2-3-5-17-32/h6-15,20,27,30,33-34H,2-5,16-19H2,1H3/t20-,27+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162812 ((2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162795 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19-,20-,27+,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162811 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...) Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162806 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[(S)...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H35NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-21,29-30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,21-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162809 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19+,26-,29+/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 Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162796 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162804 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H32FNO4/c1-18(31-15-3-4-16-31)17-34-23-11-7-21(8-12-23)29-26(20-5-9-22(32)10-6-20)19(2)27-25(35-29)14-13-24(33)28(27)30/h5-14,18-19,26,29,32-33H,3-4,15-17H2,1-2H3/t18-,19-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162798 ((2R,3R,4R)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-19-24(32)11-14-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162802 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-19-24(32)11-14-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162810 ((2R,3R,4R)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144849 ((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162808 ((2R,3R,4S)-4-Ethyl-3-(4-hydroxy-phenyl)-2-[4-(2-pi...) Show SMILES CC[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H35NO4/c1-2-26-27-20-24(33)12-15-28(27)35-30(29(26)21-6-10-23(32)11-7-21)22-8-13-25(14-9-22)34-19-18-31-16-4-3-5-17-31/h6-15,20,26,29-30,32-33H,2-5,16-19H2,1H3/t26-,29+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162810 ((2R,3R,4R)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50162798 ((2R,3R,4R)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-19-24(32)11-14-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	627	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222770 (CHEMBL19593) Show SMILES CC(C)NCC(O)C(C)Oc1ccc(C)c(C)c1 Show InChI InChI=1S/C15H25NO2/c1-10(2)16-9-15(17)13(5)18-14-7-6-11(3)12(4)8-14/h6-8,10,13,15-17H,9H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222769 (CHEMBL19809) Show SMILES CC(Oc1ccccc1)C(O)CNC(C)(C)C Show InChI InChI=1S/C14H23NO2/c1-11(13(16)10-15-14(2,3)4)17-12-8-6-5-7-9-12/h5-9,11,13,15-16H,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222775 (CHEMBL19591) Show SMILES CC(C)NCC(O)C(C)Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H19Cl2NO2/c1-8(2)16-7-13(17)9(3)18-10-4-5-11(14)12(15)6-10/h4-6,8-9,13,16-17H,7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222776 (CHEMBL19770) Show SMILES CC(Oc1ccc2ccccc2c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H25NO2/c1-13(17(20)12-19-18(2,3)4)21-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,19-20H,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50246936 ((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...) Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12 |r| Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222768 (CHEMBL19680) Show SMILES CCc1ccc(OC(C)C(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H25NO2/c1-5-13-6-8-14(9-7-13)18-12(4)15(17)10-16-11(2)3/h6-9,11-12,15-17H,5,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222724 (CHEMBL19669) Show SMILES CCc1ccc(OC(C)C(O)CNC(C)(C)C)cc1 Show InChI InChI=1S/C16H27NO2/c1-6-13-7-9-14(10-8-13)19-12(2)15(18)11-17-16(3,4)5/h7-10,12,15,17-18H,6,11H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50222723 (CHEMBL19422) Show SMILES CC(Oc1ccccc1CC=C)C(O)CNC(C)(C)C Show InChI InChI=1S/C17H27NO2/c1-6-9-14-10-7-8-11-16(14)20-13(2)15(19)12-18-17(3,4)5/h6-8,10-11,13,15,18-19H,1,9,12H2,2-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)				J Med Chem 24: 1211-4 (1981) BindingDB Entry DOI: 10.7270/Q2CN7632
					More data for this Ligand-Target Pair

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