Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'fayne' and Initial = 'd'   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50113782 ((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...) Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50113783 ((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...) Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1 Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50113780 ((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...) Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1 Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50315763 ((4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-(prop-1-ynyl)-N...) Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(ccc23)C(=O)NCc2ccncc2)C1 |r| Show InChI InChI=1S/C31H32N2O2/c1-2-14-30(35)15-16-31(20-23-6-4-3-5-7-23)27(21-30)10-8-25-19-26(9-11-28(25)31)29(34)33-22-24-12-17-32-18-13-24/h3-7,9,11-13,17-19,27,35H,8,10,15-16,20-22H2,1H3,(H,33,34)/t27-,30-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19190 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50124614 (5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...) Show SMILES COC(=O)c1ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1OC |t:22| Show InChI InChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50315767 ((S)-5-allyl-9-(ethynyloxy)-10-methoxy-2,2,4-trimet...) Show SMILES COc1c(OC#C)ccc2O[C@@H](CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:24| Show InChI InChI=1S/C25H25NO3/c1-7-9-18-22-16(10-11-17-21(22)15(3)14-25(4,5)26-17)23-19(29-18)12-13-20(28-8-2)24(23)27-6/h2,7,10-14,18,26H,1,9H2,3-6H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50113777 ((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...) Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1 Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50315765 ((S)-5-allyl-10-ethynyl-2,2,4-trimethyl-2,5-dihydro...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c([C@H](CC=C)Oc4cccc(C#C)c-34)c12 |r,t:1| Show InChI InChI=1S/C24H23NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h2,6,8,10-14,19,25H,1,9H2,3-5H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50315766 ((S)-9-methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro...) Show SMILES COc1ccc2O[C@@H](c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |r,t:24| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-21-12-11-19-20-14-18(28-4)10-13-22(20)29-25(24(19)23(16)21)17-8-6-5-7-9-17/h5-15,25,27H,1-4H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23| Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50315764 ((S)-5-allyl-9-cyanato-10-methoxy-2,2,4-trimethyl-2...) Show SMILES COc1c(OC#N)ccc2O[C@@H](CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:24| Show InChI InChI=1S/C24H24N2O3/c1-6-7-17-21-15(8-9-16-20(21)14(2)12-24(3,4)26-16)22-18(29-17)10-11-19(28-13-25)23(22)27-5/h6,8-12,17,26H,1,7H2,2-5H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50049508 (5-Bromo-4-methoxy-2-((1S,4R)-2,2,4-trimethyl-6-met...) Show SMILES COc1cc(C[C@@H]2C(=C)C[C@H](C)CC2(C)C)c(O)cc1Br Show InChI InChI=1S/C18H25BrO2/c1-11-6-12(2)14(18(3,4)10-11)7-13-8-17(21-5)15(19)9-16(13)20/h8-9,11,14,20H,2,6-7,10H2,1,3-5H3/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344448 (2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-ylthio...) Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H28ClN5OS/c1-3-32(4-2)23-15-11-20(12-16-23)17-29-31-26(34)19-35-27-30-24-7-5-6-8-25(24)33(27)18-21-9-13-22(28)14-10-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,34)/b29-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344444 (3-amino-4-(4-(benzyloxy)-3-methoxyphenyl)-N-(5-chl...) Show SMILES COc1ccc(Cl)cc1NC(=O)c1sc2nc(cc(-c3ccc(OCc4ccccc4)c(OC)c3)c2c1N)-c1ccccc1 Show InChI InChI=1S/C35H28ClN3O4S/c1-41-28-16-14-24(36)18-27(28)38-34(40)33-32(37)31-25(19-26(39-35(31)44-33)22-11-7-4-8-12-22)23-13-15-29(30(17-23)42-2)43-20-21-9-5-3-6-10-21/h3-19H,20,37H2,1-2H3,(H,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50049509 ((R)-5-bromo-2-((2,2-dimethyl-6-methylenecyclohexyl...) Show SMILES COc1cc(C[C@H]2C(=C)CCCC2(C)C)c(O)cc1Br Show InChI InChI=1S/C17H23BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h9-10,13,19H,1,5-8H2,2-4H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344447 (CHEMBL1780016 | methyl-5-(diethylcarbamoyl)-4-meth...) Show SMILES CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(=O)OC)c1C Show InChI InChI=1S/C29H29N3O4S/c1-6-32(7-2)28(34)25-18(4)24(29(35)36-5)27(37-25)31-26(33)21-16-23(19-12-10-11-17(3)15-19)30-22-14-9-8-13-20(21)22/h8-16H,6-7H2,1-5H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50049506 (5-Bromo-2-((1S,3R)-3-bromo-2,2-dimethyl-6-methylen...) Show SMILES COc1cc(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br Show InChI InChI=1S/C17H22Br2O2/c1-10-5-6-16(19)17(2,3)12(10)7-11-8-15(21-4)13(18)9-14(11)20/h8-9,12,16,20H,1,5-7H2,2-4H3/t12-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50049497 (5-Bromo-2-((1R,3R)-3-bromo-2,2-dimethyl-6-methylen...) Show SMILES COc1cc(C[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br Show InChI InChI=1S/C17H22Br2O2/c1-10-5-6-16(19)17(2,3)12(10)7-11-8-15(21-4)13(18)9-14(11)20/h8-9,12,16,20H,1,5-7H2,2-4H3/t12-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344449 (CHEMBL1780018 | ethyl 4-(5-(4-tert-butylbenzyliden...) Show SMILES CCOC(=O)c1ccc(cc1)\N=C1/S\C(=C/c2ccc(cc2)C(C)(C)C)C(=O)N1c1ccc(cc1)C(=O)OCC Show InChI InChI=1S/C32H32N2O5S/c1-6-38-29(36)22-10-16-25(17-11-22)33-31-34(26-18-12-23(13-19-26)30(37)39-7-2)28(35)27(40-31)20-21-8-14-24(15-9-21)32(3,4)5/h8-20H,6-7H2,1-5H3/b27-20-,33-31-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50315768 (5-bromo-4-methoxy-2-(((1S)-2,2,5-trimethyl-6-methy...) Show SMILES COc1cc(C[C@@H]2C(=C)C(C)CCC2(C)C)c(OC(C)=O)cc1Br |r| Show InChI InChI=1S/C20H27BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h10-12,16H,2,7-9H2,1,3-6H3/t12?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344450 (1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((8-methyl-2-...) Show SMILES Cc1ccc(NC(=S)N(Cc2ccc3OCOc3c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 Show InChI InChI=1S/C27H25N3O3S/c1-17-6-9-22(10-7-17)28-27(34)30(14-19-8-11-23-24(12-19)33-16-32-23)15-21-13-20-5-3-4-18(2)25(20)29-26(21)31/h3-13H,14-16H2,1-2H3,(H,28,34)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344446 (CHEMBL1699130 | dimethyl-4,4'-(ethane-1,2-diylbis(...) Show SMILES COC(=O)CCC(=O)N(CCN(Cc1ccccc1)C(=O)CCC(=O)OC)Cc1ccccc1 Show InChI InChI=1S/C26H32N2O6/c1-33-25(31)15-13-23(29)27(19-21-9-5-3-6-10-21)17-18-28(20-22-11-7-4-8-12-22)24(30)14-16-26(32)34-2/h3-12H,13-20H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344445 (CHEMBL1780014 | N-(3-(1-(2-(2-(3-butoxyphenyl)quin...) Show SMILES CCCCOc1cccc(c1)-c1cc(C(=O)NN=C(C)c2cccc(NC(=O)C(C)(C)C)c2)c2ccccc2n1 |w:17.17| Show InChI InChI=1S/C33H36N4O3/c1-6-7-18-40-26-15-11-13-24(20-26)30-21-28(27-16-8-9-17-29(27)35-30)31(38)37-36-22(2)23-12-10-14-25(19-23)34-32(39)33(3,4)5/h8-17,19-21H,6-7,18H2,1-5H3,(H,34,39)(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50344451 ((S)-N5-(1-(1H-indol-3-yl)-2-(isopentylamino)-2-oxo...) Show SMILES CC(C)CCNC(=O)[C@@H](N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCOc2c1)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C27H28N6O5S/c1-14(2)9-10-30-26(35)23(17-12-31-18-6-4-3-5-16(17)18)33(15-7-8-19-20(11-15)38-13-37-19)27(36)24-21(28)22(25(29)34)32-39-24/h3-8,11-12,14,23,31H,9-10,13,28H2,1-2H3,(H2,29,34)(H,30,35)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459859 (CHEMBL4228617) Show SMILES OC(=O)\C=C\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14| Show InChI InChI=1S/C27H21FO4/c28-21-11-14-24-25(17-21)32-16-15-23(19-9-12-22(29)13-10-19)27(24)20-7-5-18(6-8-20)3-1-2-4-26(30)31/h1-14,17,29H,15-16H2,(H,30,31)/b3-1+,4-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459856 (CHEMBL4227113) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8| Show InChI InChI=1S/C31H24FNO3/c32-24-13-16-28-29(20-24)36-19-18-27(22-11-14-26(34)15-12-22)31(28)23-9-6-21(7-10-23)8-17-30(35)33-25-4-2-1-3-5-25/h1-17,20,34H,18-19H2,(H,33,35)/b17-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459863 (CHEMBL4225078) Show SMILES OC(=O)CCCOc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14| Show InChI InChI=1S/C26H23FO5/c27-19-7-12-23-24(16-19)32-15-13-22(17-3-8-20(28)9-4-17)26(23)18-5-10-21(11-6-18)31-14-1-2-25(29)30/h3-12,16,28H,1-2,13-15H2,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay				Bioorg Med Chem 24: 4075-4099 (2016) Article DOI: 10.1016/j.bmc.2016.06.050 BindingDB Entry DOI: 10.7270/Q2T43W1S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459852 (CHEMBL4228923) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8| Show InChI InChI=1S/C29H26FNO3/c30-23-10-13-26-27(19-23)34-18-15-25(21-8-11-24(32)12-9-21)29(26)22-6-3-20(4-7-22)5-14-28(33)31-16-1-2-17-31/h3-14,19,32H,1-2,15-18H2/b14-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay				Bioorg Med Chem 24: 4075-4099 (2016) Article DOI: 10.1016/j.bmc.2016.06.050 BindingDB Entry DOI: 10.7270/Q2T43W1S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459850 (CHEMBL4224880) Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCSc2cc(F)ccc12)c1ccc(O)cc1 |t:12| Show InChI InChI=1S/C25H19FO3S/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50459850 (CHEMBL4224880) Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCSc2cc(F)ccc12)c1ccc(O)cc1 |t:12| Show InChI InChI=1S/C25H19FO3S/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50238736 (CHEMBL1091535 | GW7604) Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 Green from full-length estrogen receptor beta (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 Green from full-length estrogen receptor alpha (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50238736 (CHEMBL1091535 | GW7604) Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459858 (CHEMBL4225156) Show SMILES CCN(CC)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:16| Show InChI InChI=1S/C29H28FNO3/c1-3-31(4-2)28(33)16-7-20-5-8-22(9-6-20)29-25(21-10-13-24(32)14-11-21)17-18-34-27-19-23(30)12-15-26(27)29/h5-16,19,32H,3-4,17-18H2,1-2H3/b16-7+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50276802 (4-OHT | Afimoxifene | TamoGel) Show SMILES CCC(=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 antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluoromone from human glucocorticoid receptor LBD assessed as reduction of maximum polarization by fluorescence polarization assay re...				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50459856 (CHEMBL4227113) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8| Show InChI InChI=1S/C31H24FNO3/c32-24-13-16-28-29(20-24)36-19-18-27(22-11-14-26(34)15-12-22)31(28)23-9-6-21(7-10-23)8-17-30(35)33-25-4-2-1-3-5-25/h1-17,20,34H,18-19H2,(H,33,35)/b17-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50459854 (CHEMBL4225102) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCNCC3)cc2)c2ccc(F)cc2OCC1 |c:8| Show InChI InChI=1S/C29H27FN2O3/c30-23-8-11-26-27(19-23)35-18-13-25(21-6-9-24(33)10-7-21)29(26)22-4-1-20(2-5-22)3-12-28(34)32-16-14-31-15-17-32/h1-12,19,31,33H,13-18H2/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50459860 (CHEMBL4228649) Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12| Show InChI InChI=1S/C25H19FO4/c26-19-8-11-22-23(15-19)30-14-13-21(17-6-9-20(27)10-7-17)25(22)18-4-1-16(2-5-18)3-12-24(28)29/h1-12,15,27H,13-14H2,(H,28,29)/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50459862 (CHEMBL4228388) Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2ccccc12)c1ccc(O)cc1 |t:12| Show InChI InChI=1S/C25H20O4/c26-20-12-10-18(11-13-20)21-15-16-29-23-4-2-1-3-22(23)25(21)19-8-5-17(6-9-19)7-14-24(27)28/h1-14,26H,15-16H2,(H,27,28)/b14-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50459849 (CHEMBL4229221) Show SMILES COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(\C=C\C(O)=O)cc2)c1 |c:18| Show InChI InChI=1S/C26H22O5/c1-30-21-11-12-23-24(16-21)31-15-14-22(18-7-9-20(27)10-8-18)26(23)19-5-2-17(3-6-19)4-13-25(28)29/h2-13,16,27H,14-15H2,1H3,(H,28,29)/b13-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50459854 (CHEMBL4225102) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCNCC3)cc2)c2ccc(F)cc2OCC1 |c:8| Show InChI InChI=1S/C29H27FN2O3/c30-23-8-11-26-27(19-23)35-18-13-25(21-6-9-24(33)10-7-21)29(26)22-4-1-20(2-5-22)3-12-28(34)32-16-14-31-15-17-32/h1-12,19,31,33H,13-18H2/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276802 (4-OHT | Afimoxifene | TamoGel) Show SMILES CCC(=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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence pol...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50276802 (4-OHT | Afimoxifene | TamoGel) Show SMILES CCC(=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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...				J Med Chem 61: 514-534 (2018) Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G
					More data for this Ligand-Target Pair

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