Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50035078   

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))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					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 PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					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 PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50366659 (CHEMBL1627354) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28-,29+,30-,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					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 PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50366659 (CHEMBL1627354) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28-,29+,30-,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366659 (CHEMBL1627354) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28-,29+,30-,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50366658 (CHEMBL1628170) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](Cc1cc(O)ccc31)Sc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H30O4S/c1-27-13-12-21-20-8-5-18(28)14-17(20)15-23(26(21)22(27)9-10-24(27)29)32-19-6-2-16(3-7-19)4-11-25(30)31/h2-8,11,14,21-24,26,28-29H,9-10,12-13,15H2,1H3,(H,30,31)/b11-4+/t21-,22+,23-,24+,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366663 (CHEMBL1627351) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1[C@H](O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31-33,36-37,39H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50366663 (CHEMBL1627351) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1[C@H](O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31-33,36-37,39H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366660 (CHEMBL1628199) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O Show InChI InChI=1S/C34H53NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31,33,36-37H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50366660 (CHEMBL1628199) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O Show InChI InChI=1S/C34H53NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31,33,36-37H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50041611 ((2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRY...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50366658 (CHEMBL1628170) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](Cc1cc(O)ccc31)Sc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H30O4S/c1-27-13-12-21-20-8-5-18(28)14-17(20)15-23(26(21)22(27)9-10-24(27)29)32-19-6-2-16(3-7-19)4-11-25(30)31/h2-8,11,14,21-24,26,28-29H,9-10,12-13,15H2,1H3,(H,30,31)/b11-4+/t21-,22+,23-,24+,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50041611 ((2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRY...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50366662 (CHEMBL1627356) Show SMILES CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 Show InChI InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50366664 (CHEMBL1627353) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31 Show InChI InChI=1S/C24H27BrO3S/c1-24-11-10-17-16-7-4-14(26)12-18(16)22(28)23(21(17)19(24)8-9-20(24)27)29-15-5-2-13(25)3-6-15/h2-7,12,17,19-23,26-28H,8-11H2,1H3/t17-,19+,20+,21-,22?,23+,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366662 (CHEMBL1627356) Show SMILES CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 Show InChI InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366663 (CHEMBL1627351) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1[C@H](O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31-33,36-37,39H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366664 (CHEMBL1627353) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31 Show InChI InChI=1S/C24H27BrO3S/c1-24-11-10-17-16-7-4-14(26)12-18(16)22(28)23(21(17)19(24)8-9-20(24)27)29-15-5-2-13(25)3-6-15/h2-7,12,17,19-23,26-28H,8-11H2,1H3/t17-,19+,20+,21-,22?,23+,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366660 (CHEMBL1628199) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O Show InChI InChI=1S/C34H53NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31,33,36-37H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50041611 ((2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRY...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	654	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50366664 (CHEMBL1627353) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31 Show InChI InChI=1S/C24H27BrO3S/c1-24-11-10-17-16-7-4-14(26)12-18(16)22(28)23(21(17)19(24)8-9-20(24)27)29-15-5-2-13(25)3-6-15/h2-7,12,17,19-23,26-28H,8-11H2,1H3/t17-,19+,20+,21-,22?,23+,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366657 (CHEMBL1627361) Show SMILES COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3[C@@H](Cc2c1)Sc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H43NO3S/c1-32-15-14-27-26-11-8-24(35-2)20-22(26)21-29(31(27)28(32)12-13-30(32)34)37-25-9-6-23(7-10-25)36-19-18-33-16-4-3-5-17-33/h6-11,20,27-31,34H,3-5,12-19,21H2,1-2H3/t27-,28+,29-,30+,31-,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	336	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366662 (CHEMBL1627356) Show SMILES CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 Show InChI InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	173	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366661 (CHEMBL1627355) Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)c1ccc(O)cc1C(=O)[C@H]3Sc1ccc(Br)cc1 Show InChI InChI=1S/C26H27BrO4S/c1-14(28)31-22-10-9-21-23-19(11-12-26(21,22)2)18-8-5-16(29)13-20(18)24(30)25(23)32-17-6-3-15(27)4-7-17/h3-8,13,19,21-23,25,29H,9-12H2,1-2H3/t19-,21+,22+,23-,25+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366660 (CHEMBL1628199) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O Show InChI InChI=1S/C34H53NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31,33,36-37H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366663 (CHEMBL1627351) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1[C@H](O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31-33,36-37,39H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					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 PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50366658 (CHEMBL1628170) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](Cc1cc(O)ccc31)Sc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H30O4S/c1-27-13-12-21-20-8-5-18(28)14-17(20)15-23(26(21)22(27)9-10-24(27)29)32-19-6-2-16(3-7-19)4-11-25(30)31/h2-8,11,14,21-24,26,28-29H,9-10,12-13,15H2,1H3,(H,30,31)/b11-4+/t21-,22+,23-,24+,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair