Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50008314   

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))	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					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	n/a	n/a	0.310	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517929 (CHEMBL4528491) Show SMILES O[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:4.7,wD:1.0,(58.82,-9.27,;57.28,-9.27,;56.52,-7.93,;54.97,-7.93,;54.21,-9.26,;54.97,-10.59,;56.51,-10.6,;52.67,-9.26,;51.9,-7.92,;50.36,-7.92,;49.59,-9.25,;48.05,-9.26,;50.37,-10.59,;51.91,-10.59,)| Show InChI InChI=1S/C12H16O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,12-14H,3-4,7-8H2/t10-,12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.52E+3	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517930 (CHEMBL4561540) Show SMILES Oc1ccc(cc1)C1CCC(=C)CC1 Show InChI InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517931 (CHEMBL4444171) Show SMILES Oc1ccc(cc1C=O)C1CCC(=C)CC1 Show InChI InChI=1S/C14H16O2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15/h6-9,11,16H,1-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517932 (CHEMBL4459147) Show SMILES OC[C@]1(O)CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:6.9,2.1,(73.8,-15.59,;73.81,-17.13,;72.48,-17.9,;73.82,-18.67,;71.72,-16.57,;70.17,-16.56,;69.41,-17.9,;70.18,-19.23,;71.71,-19.24,;67.87,-17.9,;67.1,-16.56,;65.56,-16.56,;64.79,-17.89,;63.25,-17.89,;65.57,-19.23,;67.11,-19.22,)| Show InChI InChI=1S/C13H18O3/c14-9-13(16)7-5-11(6-8-13)10-1-3-12(15)4-2-10/h1-4,11,14-16H,5-9H2/t11-,13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517933 (CHEMBL4458536) Show SMILES [H][C@]12CC[C@](CC1)(OC2)c1ccc(O)cc1 |r,wD:4.10,1.0,(44.07,-27.96,;42.54,-27.97,;41.77,-26.63,;40.23,-26.62,;39.46,-27.96,;40.23,-29.29,;41.76,-29.3,;40.79,-28.73,;41.2,-27.2,;37.92,-27.96,;37.16,-26.62,;35.62,-26.62,;34.85,-27.95,;33.31,-27.96,;35.63,-29.29,;37.16,-29.28,)| Show InChI InChI=1S/C13H16O2/c14-12-3-1-11(2-4-12)13-7-5-10(6-8-13)9-15-13/h1-4,10,14H,5-9H2/t10-,13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517928 (CHEMBL4593988) Show SMILES OCC1CCC(=CC1)c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C13H16O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h3,5-8,10,14-15H,1-2,4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517934 (CHEMBL4442761) Show SMILES OCCC1CCC(CC1)c1ccc(O)cc1 |(34.72,-35.11,;33.18,-35.11,;32.41,-36.44,;30.87,-36.43,;30.09,-37.76,;28.56,-37.76,;27.79,-36.42,;28.55,-35.09,;30.1,-35.09,;26.25,-36.42,;25.48,-35.08,;23.94,-35.08,;23.17,-36.42,;21.63,-36.42,;23.95,-37.76,;25.49,-37.75,)| Show InChI InChI=1S/C14H20O2/c15-10-9-11-1-3-12(4-2-11)13-5-7-14(16)8-6-13/h5-8,11-12,15-16H,1-4,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					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	n/a	n/a	0.151	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor beta (unknown origin) by FRET-based assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	357	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor beta (unknown origin) by FRET-based assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	930	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor alpha (unknown origin) by FRET-based assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517930 (CHEMBL4561540) Show SMILES Oc1ccc(cc1)C1CCC(=C)CC1 Show InChI InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	101	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517936 (CHEMBL4453541) Show SMILES CC1CCC(CC1)c1ccc(O)cc1 |(29.12,-19.6,;27.58,-19.59,;26.8,-20.92,;25.27,-20.92,;24.5,-19.58,;25.27,-18.25,;26.81,-18.26,;22.96,-19.58,;22.19,-18.25,;20.65,-18.25,;19.88,-19.58,;18.34,-19.58,;20.66,-20.92,;22.2,-20.91,)| Show InChI InChI=1S/C13H18O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11,14H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517928 (CHEMBL4593988) Show SMILES OCC1CCC(=CC1)c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C13H16O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h3,5-8,10,14-15H,1-2,4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517934 (CHEMBL4442761) Show SMILES OCCC1CCC(CC1)c1ccc(O)cc1 |(34.72,-35.11,;33.18,-35.11,;32.41,-36.44,;30.87,-36.43,;30.09,-37.76,;28.56,-37.76,;27.79,-36.42,;28.55,-35.09,;30.1,-35.09,;26.25,-36.42,;25.48,-35.08,;23.94,-35.08,;23.17,-36.42,;21.63,-36.42,;23.95,-37.76,;25.49,-37.75,)| Show InChI InChI=1S/C14H20O2/c15-10-9-11-1-3-12(4-2-11)13-5-7-14(16)8-6-13/h5-8,11-12,15-16H,1-4,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517930 (CHEMBL4561540) Show SMILES Oc1ccc(cc1)C1CCC(=C)CC1 Show InChI InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517936 (CHEMBL4453541) Show SMILES CC1CCC(CC1)c1ccc(O)cc1 |(29.12,-19.6,;27.58,-19.59,;26.8,-20.92,;25.27,-20.92,;24.5,-19.58,;25.27,-18.25,;26.81,-18.26,;22.96,-19.58,;22.19,-18.25,;20.65,-18.25,;19.88,-19.58,;18.34,-19.58,;20.66,-20.92,;22.2,-20.91,)| Show InChI InChI=1S/C13H18O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11,14H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517928 (CHEMBL4593988) Show SMILES OCC1CCC(=CC1)c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C13H16O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h3,5-8,10,14-15H,1-2,4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517930 (CHEMBL4561540) Show SMILES Oc1ccc(cc1)C1CCC(=C)CC1 Show InChI InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517928 (CHEMBL4593988) Show SMILES OCC1CCC(=CC1)c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C13H16O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h3,5-8,10,14-15H,1-2,4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517936 (CHEMBL4453541) Show SMILES CC1CCC(CC1)c1ccc(O)cc1 |(29.12,-19.6,;27.58,-19.59,;26.8,-20.92,;25.27,-20.92,;24.5,-19.58,;25.27,-18.25,;26.81,-18.26,;22.96,-19.58,;22.19,-18.25,;20.65,-18.25,;19.88,-19.58,;18.34,-19.58,;20.66,-20.92,;22.2,-20.91,)| Show InChI InChI=1S/C13H18O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11,14H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517937 (CHEMBL4554635) Show SMILES O\N=C\c1cc(ccc1O)C1CCC(=C)CC1 Show InChI InChI=1S/C14H17NO2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15-17/h6-9,11,16-17H,1-5H2/b15-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	225	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor alpha ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence ...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517934 (CHEMBL4442761) Show SMILES OCCC1CCC(CC1)c1ccc(O)cc1 |(34.72,-35.11,;33.18,-35.11,;32.41,-36.44,;30.87,-36.43,;30.09,-37.76,;28.56,-37.76,;27.79,-36.42,;28.55,-35.09,;30.1,-35.09,;26.25,-36.42,;25.48,-35.08,;23.94,-35.08,;23.17,-36.42,;21.63,-36.42,;23.95,-37.76,;25.49,-37.75,)| Show InChI InChI=1S/C14H20O2/c15-10-9-11-1-3-12(4-2-11)13-5-7-14(16)8-6-13/h5-8,11-12,15-16H,1-4,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence ...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517936 (CHEMBL4453541) Show SMILES CC1CCC(CC1)c1ccc(O)cc1 |(29.12,-19.6,;27.58,-19.59,;26.8,-20.92,;25.27,-20.92,;24.5,-19.58,;25.27,-18.25,;26.81,-18.26,;22.96,-19.58,;22.19,-18.25,;20.65,-18.25,;19.88,-19.58,;18.34,-19.58,;20.66,-20.92,;22.2,-20.91,)| Show InChI InChI=1S/C13H18O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11,14H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					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	n/a	n/a	0.107	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor alpha (unknown origin) by FRET-based assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517934 (CHEMBL4442761) Show SMILES OCCC1CCC(CC1)c1ccc(O)cc1 |(34.72,-35.11,;33.18,-35.11,;32.41,-36.44,;30.87,-36.43,;30.09,-37.76,;28.56,-37.76,;27.79,-36.42,;28.55,-35.09,;30.1,-35.09,;26.25,-36.42,;25.48,-35.08,;23.94,-35.08,;23.17,-36.42,;21.63,-36.42,;23.95,-37.76,;25.49,-37.75,)| Show InChI InChI=1S/C14H20O2/c15-10-9-11-1-3-12(4-2-11)13-5-7-14(16)8-6-13/h5-8,11-12,15-16H,1-4,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517936 (CHEMBL4453541) Show SMILES CC1CCC(CC1)c1ccc(O)cc1 |(29.12,-19.6,;27.58,-19.59,;26.8,-20.92,;25.27,-20.92,;24.5,-19.58,;25.27,-18.25,;26.81,-18.26,;22.96,-19.58,;22.19,-18.25,;20.65,-18.25,;19.88,-19.58,;18.34,-19.58,;20.66,-20.92,;22.2,-20.91,)| Show InChI InChI=1S/C13H18O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11,14H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517930 (CHEMBL4561540) Show SMILES Oc1ccc(cc1)C1CCC(=C)CC1 Show InChI InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					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	n/a	n/a	0.25	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517938 (CHEMBL4552891) Show SMILES [#8]\[#7]=[#6]-1\[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C12H15NO2/c14-12-7-3-10(4-8-12)9-1-5-11(13-15)6-2-9/h3-4,7-9,14-15H,1-2,5-6H2/b13-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50517939 (CHEMBL4581589) Show SMILES OCC=C1CCC(CC1)c1ccc(O)cc1 |(17.82,-35.33,;16.28,-35.33,;15.51,-36.66,;13.97,-36.65,;13.19,-37.98,;11.66,-37.98,;10.89,-36.64,;11.65,-35.31,;13.2,-35.31,;9.35,-36.64,;8.58,-35.3,;7.04,-35.3,;6.27,-36.64,;4.73,-36.64,;7.05,-37.97,;8.59,-37.97,)| Show InChI InChI=1S/C14H18O2/c15-10-9-11-1-3-12(4-2-11)13-5-7-14(16)8-6-13/h5-9,12,15-16H,1-4,10H2/b11-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517934 (CHEMBL4442761) Show SMILES OCCC1CCC(CC1)c1ccc(O)cc1 |(34.72,-35.11,;33.18,-35.11,;32.41,-36.44,;30.87,-36.43,;30.09,-37.76,;28.56,-37.76,;27.79,-36.42,;28.55,-35.09,;30.1,-35.09,;26.25,-36.42,;25.48,-35.08,;23.94,-35.08,;23.17,-36.42,;21.63,-36.42,;23.95,-37.76,;25.49,-37.75,)| Show InChI InChI=1S/C14H20O2/c15-10-9-11-1-3-12(4-2-11)13-5-7-14(16)8-6-13/h5-8,11-12,15-16H,1-4,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517928 (CHEMBL4593988) Show SMILES OCC1CCC(=CC1)c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C13H16O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h3,5-8,10,14-15H,1-2,4,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
					More data for this Ligand-Target Pair

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