Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50039165   

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))	BDBM50318641 (5-hydroxynaphthalen-1-yl 4-methoxybenzoate | CHEMB...) Show SMILES COc1ccc(cc1)C(=O)Oc1cccc2c(O)cccc12 Show InChI InChI=1S/C18H14O4/c1-21-13-10-8-12(9-11-13)18(20)22-17-7-3-4-14-15(17)5-2-6-16(14)19/h2-11,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	795	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50318640 (5-hydroxynaphthalen-1-yl 2,4-dichlorobenzoate | CH...) Show SMILES Oc1cccc2c(OC(=O)c3ccc(Cl)cc3Cl)cccc12 Show InChI InChI=1S/C17H10Cl2O3/c18-10-7-8-13(14(19)9-10)17(21)22-16-6-2-3-11-12(16)4-1-5-15(11)20/h1-9,20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50318643 (CHEMBL1083981 | methyl 2-(5-(3-chloro-4-hydroxyben...) Show SMILES COC(=O)C(C)N1C(=O)S\C(=C\c2ccc(O)c(Cl)c2)C1=O Show InChI InChI=1S/C14H12ClNO5S/c1-7(13(19)21-2)16-12(18)11(22-14(16)20)6-8-3-4-10(17)9(15)5-8/h3-7,17H,1-2H3/b11-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					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	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50063604 ((E)-1-(4-Bromo-phenyl)-3-(4-hydroxy-phenyl)-propen...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H11BrO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50318647 (5-(4-bromophenyl)-3-hydroxy-1-(4-hydroxyphenyl)-4-...) Show SMILES Cc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1ccc(O)cc1)c1ccc(Br)cc1 Show InChI InChI=1S/C24H18BrNO4/c1-14-2-4-16(5-3-14)22(28)20-21(15-6-8-17(25)9-7-15)26(24(30)23(20)29)18-10-12-19(27)13-11-18/h2-13,20-21,27H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50318648 (5-bromo-2-(4-hydroxyphenyl)isoindoline-1,3-dione |...) Show SMILES Oc1ccc(cc1)N1C(=O)c2ccc(Br)cc2C1=O Show InChI InChI=1S/C14H8BrNO3/c15-8-1-6-11-12(7-8)14(19)16(13(11)18)9-2-4-10(17)5-3-9/h1-7,17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50318651 (5-hydroxynaphthalen-1-yl 4-methylbenzoate | CHEMBL...) Show SMILES Cc1ccc(cc1)C(=O)Oc1cccc2c(O)cccc12 Show InChI InChI=1S/C18H14O3/c1-12-8-10-13(11-9-12)18(20)21-17-7-3-4-14-15(17)5-2-6-16(14)19/h2-11,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity				J Med Chem 53: 5361-5 (2010) Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8
					More data for this Ligand-Target Pair