Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'ruenitz' and Initial = 'pc'   

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 beta (RAT-Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					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 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					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 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
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from estrogen receptor (ER)				J Med Chem 32: 192-7 (1989) BindingDB Entry DOI: 10.7270/Q28K782T
					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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from human estrogen receptor alpha				J Med Chem 42: 3126-33 (1999) Article DOI: 10.1021/jm990078u BindingDB Entry DOI: 10.7270/Q2QZ296Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50054811 (CHEMBL106773 | {4-[(Z)-1-(4-Hydroxy-phenyl)-2-phen...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(25)13-9-18)19-10-14-21(15-11-19)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50079495 (CHEMBL104367 | {3-[(E)-1-(4-Hydroxy-phenyl)-2-phen...) Show SMILES CC\C(=C(\c1ccc(O)cc1)c1cccc(OCC(O)=O)c1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-7-4-3-5-8-17)24(18-11-13-20(25)14-12-18)19-9-6-10-21(15-19)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>11	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from human estrogen receptor alpha				J Med Chem 42: 3126-33 (1999) Article DOI: 10.1021/jm990078u BindingDB Entry DOI: 10.7270/Q2QZ296Z
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)				J Med Chem 32: 192-7 (1989) BindingDB Entry DOI: 10.7270/Q28K782T
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase (Homo sapiens (Human))	BDBM50020285 (3'-Methoxy-4'Hydroxyclomiphene | 4-{2-Chloro-1-[4-...) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-20(12-15-23)26(27(28)21-9-7-6-8-10-21)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)				J Med Chem 32: 192-7 (1989) BindingDB Entry DOI: 10.7270/Q28K782T
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase (Homo sapiens (Human))	BDBM50020286 (4-{1-Chloro-2-[4-(2-diethylamino-ethoxy)-phenyl]-2...) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccc(O)c(OC)c1)\c1ccccc1 Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-21(12-15-23)26(20-9-7-6-8-10-20)27(28)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)				J Med Chem 32: 192-7 (1989) BindingDB Entry DOI: 10.7270/Q28K782T
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from human estrogen receptor alpha				J Med Chem 42: 3126-33 (1999) Article DOI: 10.1021/jm990078u BindingDB Entry DOI: 10.7270/Q2QZ296Z
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50230556 (CHEMBL176509) Show SMILES Oc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CC1 |c:8| Show InChI InChI=1S/C30H31NO4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)29(27)30(34)22-6-12-26(13-7-22)35-19-18-31-16-2-1-3-17-31/h4-7,9-13,15,20,32-33H,1-3,8,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50230557 (CHEBI:90187 | LY-117018) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50230560 (CHEMBL2112950) Show SMILES Oc1ccc-2c(c1)C(c1c-2ccc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H29NO3/c32-22-7-12-25-21(18-22)6-11-27-26-13-8-23(33)19-28(26)29(30(25)27)20-4-9-24(10-5-20)34-17-16-31-14-2-1-3-15-31/h4-13,18-19,29,32-33H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					More data for this Ligand-Target Pair
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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470950 (CHEMBL358975) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(CC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O3/c1-2-22(18-6-4-3-5-7-18)24(20-12-14-21(25)15-13-20)19-10-8-17(9-11-19)16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50054811 (CHEMBL106773 | {4-[(Z)-1-(4-Hydroxy-phenyl)-2-phen...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(25)13-9-18)19-10-14-21(15-11-19)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from human estrogen receptor alpha				J Med Chem 42: 3126-33 (1999) Article DOI: 10.1021/jm990078u BindingDB Entry DOI: 10.7270/Q2QZ296Z
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50230558 (CHEMBL2112949) Show SMILES Oc1ccc2c3C(c4ccccc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H29NO2/c32-23-11-15-25-22(20-23)10-14-28-26-6-2-3-7-27(26)29(30(25)28)21-8-12-24(13-9-21)33-19-18-31-16-4-1-5-17-31/h2-3,6-15,20,29,32H,1,4-5,16-19H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470953 (CHEMBL145356) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C24H22O5/c1-2-22(16-7-13-21(14-8-16)29-15-23(27)28)24(17-3-9-19(25)10-4-17)18-5-11-20(26)12-6-18/h3-14,25-26H,2,15H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50020285 (3'-Methoxy-4'Hydroxyclomiphene | 4-{2-Chloro-1-[4-...) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-20(12-15-23)26(27(28)21-9-7-6-8-10-21)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from estrogen receptor (ER)				J Med Chem 32: 192-7 (1989) BindingDB Entry DOI: 10.7270/Q28K782T
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470952 (CHEMBL144195) Show SMILES OC(=O)COc1ccc(cc1)C(Cc1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C22H20O4/c23-19-10-6-17(7-11-19)21(14-16-4-2-1-3-5-16)18-8-12-20(13-9-18)26-15-22(24)25/h1-13,21,23H,14-15H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470949 (CHEMBL342340) Show SMILES CC\C(=C(/c1ccc(C)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H24O3/c1-3-23(19-7-5-4-6-8-19)25(20-11-9-18(2)10-12-20)21-13-15-22(16-14-21)28-17-24(26)27/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50079492 (CHEMBL104416 | {4-[(E)-1-(3-Hydroxy-phenyl)-2-phen...) Show SMILES CC\C(=C(\c1ccc(OCC(O)=O)cc1)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-7-4-3-5-8-17)24(19-9-6-10-20(25)15-19)18-11-13-21(14-12-18)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from human estrogen receptor alpha				J Med Chem 42: 3126-33 (1999) Article DOI: 10.1021/jm990078u BindingDB Entry DOI: 10.7270/Q2QZ296Z
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50230559 (CHEMBL367432) Show SMILES Oc1ccc2C(C(=O)c3ccc(OCCN4CCCCC4)cc3)=C(CCc2c1)c1ccccc1 |c:24| Show InChI InChI=1S/C30H31NO3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)29(28)30(33)23-9-13-26(14-10-23)34-20-19-31-17-5-2-6-18-31/h1,3-4,7-10,12-14,16,21,32H,2,5-6,11,15,17-20H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells				J Med Chem 35: 931-8 (1992) BindingDB Entry DOI: 10.7270/Q2V98B9P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50020286 (4-{1-Chloro-2-[4-(2-diethylamino-ethoxy)-phenyl]-2...) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccc(O)c(OC)c1)\c1ccccc1 Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-21(12-15-23)26(20-9-7-6-8-10-20)27(28)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from estrogen receptor (ER)				J Med Chem 32: 192-7 (1989) BindingDB Entry DOI: 10.7270/Q28K782T
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470951 (CHEMBL144704) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O3/c1-2-22(18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)20-13-15-21(16-14-20)27-17-23(25)26/h3-16H,2,17H2,1H3,(H,25,26)/b24-22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	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 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	5.70	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50227469 (CHEMBL285536) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]\c1ccc(F)cc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H15FO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50227468 (CHEMBL33879) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]\c1ccc(Br)cc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H15BrO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50227471 (CHEMBL287352) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]\c1ccc(I)cc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H15IO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50227469 (CHEMBL285536) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]\c1ccc(F)cc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H15FO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50023749 (4-(1,2-diphenyl-vinyl)-phenol | 4-[1-(4-hydroxyphe...) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]\c1ccccc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50227471 (CHEMBL287352) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]\c1ccc(I)cc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H15IO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50227470 (CHEMBL34648) Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](/Cl)-c1ccccc1)\c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H15ClO2/c21-20(16-4-2-1-3-5-16)19(14-6-10-17(22)11-7-14)15-8-12-18(23)13-9-15/h1-13,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol				J Med Chem 31: 1471-5 (1988) BindingDB Entry DOI: 10.7270/Q2DN478W
					More data for this Ligand-Target Pair