Compile Data Set for Download or QSAR

Found 10 hits of ic50 for UniProtKB: P19785   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Mus musculus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Mus musculus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor in mouse GT1-7 cells harboring beta-galactosidase reporter gene assessed as reduction in 17beta-estradiol in...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Mus musculus)	BDBM50154088 (7-Bromo-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...) Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1 Show InChI InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154084 (7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzooxazol-...) Show SMILES Oc1cc(Br)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C13H7BrFNO3/c14-8-4-7(17)5-10-12(8)19-13(16-10)6-1-2-11(18)9(15)3-6/h1-5,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154045 (5-Hydroxy-2-(4-hydroxy-phenyl)-benzooxazole-7-carb...) Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C#N)c2o1 Show InChI InChI=1S/C14H8N2O3/c15-7-9-5-11(18)6-12-13(9)19-14(16-12)8-1-3-10(17)4-2-8/h1-6,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	423	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	746	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154050 (3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol | 3-(4-...) Show SMILES Oc1ccc(cc1)-c1noc2cc(O)ccc12 Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-14-13/h1-7,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154053 (2-(4-Hydroxy-phenyl)-benzooxazol-6-ol | 2-(4-hydro...) Show SMILES Oc1ccc(cc1)-c1nc2ccc(O)cc2o1 Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154057 (2-(4-Hydroxy-phenyl)-benzooxazol-5-ol | 2-(4-hydro...) Show SMILES Oc1ccc(cc1)-c1nc2cc(O)ccc2o1 Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154110 (5-Hydroxy-2-(4-hydroxy-phenyl)-benzooxazole-7-carb...) Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C=O)c2o1 Show InChI InChI=1S/C14H9NO4/c16-7-9-5-11(18)6-12-13(9)19-14(15-12)8-1-3-10(17)4-2-8/h1-7,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair