Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'kieser' and Initial = 'kj'   

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))	BDBM50297513 (6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C14H15NO2/c1-10(14-7-6-13(17)9-15-14)8-11-2-4-12(16)5-3-11/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50298241 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-pentane | CHEMBL5...) Show SMILES CCCC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-2-3-15(14-6-10-17(19)11-7-14)12-13-4-8-16(18)9-5-13/h4-11,15,18-19H,2-3,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297515 (6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CC(Cc1ccc(O)cn1)c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO2/c1-10(11-2-5-13(16)6-3-11)8-12-4-7-14(17)9-15-12/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297516 (CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r| Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297517 (CHEMBL552019 | cis-6-[1-ethyl-2-(4-hydroxy-phenyl)...) Show SMILES CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297518 (CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297513 (6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C14H15NO2/c1-10(14-7-6-13(17)9-15-14)8-11-2-4-12(16)5-3-11/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297514 (6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CCC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C15H17NO2/c1-2-12(15-8-7-14(18)10-16-15)9-11-3-5-13(17)6-4-11/h3-8,10,12,17-18H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297515 (6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CC(Cc1ccc(O)cn1)c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO2/c1-10(11-2-5-13(16)6-3-11)8-12-4-7-14(17)9-15-12/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297516 (CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r| Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297517 (CHEMBL552019 | cis-6-[1-ethyl-2-(4-hydroxy-phenyl)...) Show SMILES CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297518 (CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.610	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298235 (1,2-Bis-(4-hydroxy-phenyl)-2-methyl-propane | CHEM...) Show SMILES CC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H18O2/c1-16(2,13-5-9-15(18)10-6-13)11-12-3-7-14(17)8-4-12/h3-10,17-18H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					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	0.850	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50298236 (1,2-Bis-(4-hydroxy-phenyl)-but-1-ene | CHEMBL57363...) Show SMILES CC\C(=C/c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H16O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-11,17-18H,2H2,1H3/b13-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.520	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					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	0.5	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					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	n/a	0.5	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Binding affinity to human full length ERbeta receptor				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Binding affinity to human full length ERalpha receptor				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50298237 (1,2-Bis-(4-hydroxy-phenyl)-ethane | 4,4'-(ethane-1...) Show SMILES Oc1ccc(CCc2ccc(O)cc2)cc1 Show InChI InChI=1S/C14H14O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,15-16H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	75.1	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					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	66	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50298238 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-2-methyl-pentane ...) Show SMILES CCCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H22O2/c1-3-12-18(2,15-6-10-17(20)11-7-15)13-14-4-8-16(19)9-5-14/h4-11,19-20H,3,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20.2	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50298235 (1,2-Bis-(4-hydroxy-phenyl)-2-methyl-propane | CHEM...) Show SMILES CC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H18O2/c1-16(2,13-5-9-15(18)10-6-13)11-12-3-7-14(17)8-4-12/h3-10,17-18H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16.2	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50298239 (1,2-Bis-(4-hydroxy-phenyl)-prop-1-ene | CHEMBL5772...) Show SMILES C\C(=C/c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11.2	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50298240 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-2-methyl-butane |...) Show SMILES CCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(2,14-6-10-16(19)11-7-14)12-13-4-8-15(18)9-5-13/h4-11,18-19H,3,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10.7	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298237 (1,2-Bis-(4-hydroxy-phenyl)-ethane | 4,4'-(ethane-1...) Show SMILES Oc1ccc(CCc2ccc(O)cc2)cc1 Show InChI InChI=1S/C14H14O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,15-16H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298238 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-2-methyl-pentane ...) Show SMILES CCCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H22O2/c1-3-12-18(2,15-6-10-17(20)11-7-15)13-14-4-8-16(19)9-5-14/h4-11,19-20H,3,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298239 (1,2-Bis-(4-hydroxy-phenyl)-prop-1-ene | CHEMBL5772...) Show SMILES C\C(=C/c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298240 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-2-methyl-butane |...) Show SMILES CCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(2,14-6-10-16(19)11-7-14)12-13-4-8-15(18)9-5-13/h4-11,18-19H,3,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298241 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-pentane | CHEMBL5...) Show SMILES CCCC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-2-3-15(14-6-10-17(19)11-7-14)12-13-4-8-16(18)9-5-13/h4-11,15,18-19H,2-3,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50298236 (1,2-Bis-(4-hydroxy-phenyl)-but-1-ene | CHEMBL57363...) Show SMILES CC\C(=C/c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H16O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-11,17-18H,2H2,1H3/b13-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.21	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297514 (6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CCC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C15H17NO2/c1-2-12(15-8-7-14(18)10-16-15)9-11-3-5-13(17)6-4-11/h3-8,10,12,17-18H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair