Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with all data for entry = 50037660   

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 (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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50178337 ((10S,13S,17S)-17-hydroxy-13-methyl-10-vinyl-1,7,8,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CC[C@@H]2O |t:8| Show InChI InChI=1S/C20H28O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h3,12,15-18,22H,1,4-11H2,2H3/t15?,16?,17?,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14?,15?,16?,17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178318 ((3S,10R,13S,17S,Z)-10-(2-fluorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/F)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29FO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10-/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178314 ((3S,10S,13S,17S)-13-methyl-10-vinyl-2,3,4,7,8,9,10...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h3-4,14-18,21-22H,1,5-12H2,2H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178329 ((3S,10S,13S,17S)-17-ethynyl-13-methyl-10-vinyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@]2(O)C#C |t:7| Show InChI InChI=1S/C22H30O2/c1-4-21-12-8-16(23)14-15(21)6-7-17-18-10-13-22(24,5-2)20(18,3)11-9-19(17)21/h2,4,6,16-19,23-24H,1,7-14H2,3H3/t16-,17?,18?,19?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178316 ((3S,10R,13S,17S)-10-ethyl-13-methyl-2,3,4,7,8,9,10...) Show SMILES CC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:9| Show InChI InChI=1S/C20H32O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h4,14-18,21-22H,3,5-12H2,1-2H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178333 ((3S,10S,13S,17S,Z)-13-methyl-10-(prop-1-enyl)-2,3,...) Show SMILES C\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,10,15-19,22-23H,5-9,11-13H2,1-2H3/b10-3-/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178317 ((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C#C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h1,4,14-18,21-22H,5-12H2,2H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178321 ((3S,10R,13S,17S,Z)-10-(2-bromovinyl)-13-methyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Br)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29BrO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10-/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178334 ((3S,10R,13S,17S,E)-10-(2-fluorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\F)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29FO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10+/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178328 ((3S,10S,13S,17S)-13,17-dimethyl-10-vinyl-2,3,4,7,8...) Show SMILES C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@]12C |t:8| Show InChI InChI=1S/C21H32O2/c1-4-21-12-7-15(22)13-14(21)5-6-16-17-9-11-20(3,23)19(17,2)10-8-18(16)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178318 ((3S,10R,13S,17S,Z)-10-(2-fluorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/F)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29FO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10-/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178314 ((3S,10S,13S,17S)-13-methyl-10-vinyl-2,3,4,7,8,9,10...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h3-4,14-18,21-22H,1,5-12H2,2H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178316 ((3S,10R,13S,17S)-10-ethyl-13-methyl-2,3,4,7,8,9,10...) Show SMILES CC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:9| Show InChI InChI=1S/C20H32O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h4,14-18,21-22H,3,5-12H2,1-2H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178319 ((3S,10R,13S,17S,Z)-10-(2-chlorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Cl)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29ClO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10-/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178334 ((3S,10R,13S,17S,E)-10-(2-fluorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\F)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29FO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10+/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178330 ((3S,10S,13S,17S,E)-13-methyl-10-(prop-1-enyl)-2,3,...) Show SMILES C\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,10,15-19,22-23H,5-9,11-13H2,1-2H3/b10-3+/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178325 ((3S,10R,13S,17S,E)-10-(2-bromovinyl)-13-methyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Br)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29BrO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10+/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178335 ((3S,10R,13S,17S,E)-10-(2-chlorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Cl)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29ClO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10+/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178336 ((3S,10S,13S,17S)-10-allyl-13-methyl-2,3,4,7,8,9,10...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,15-19,22-23H,1,5-13H2,2H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178327 ((3S,10R,13S,17S)-13-methyl-10-propyl-2,3,4,7,8,9,1...) Show SMILES CCC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H34O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h4,15-19,22-23H,3,5-13H2,1-2H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178329 ((3S,10S,13S,17S)-17-ethynyl-13-methyl-10-vinyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@]2(O)C#C |t:7| Show InChI InChI=1S/C22H30O2/c1-4-21-12-8-16(23)14-15(21)6-7-17-18-10-13-22(24,5-2)20(18,3)11-9-19(17)21/h2,4,6,16-19,23-24H,1,7-14H2,3H3/t16-,17?,18?,19?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178328 ((3S,10S,13S,17S)-13,17-dimethyl-10-vinyl-2,3,4,7,8...) Show SMILES C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@]12C |t:8| Show InChI InChI=1S/C21H32O2/c1-4-21-12-7-15(22)13-14(21)5-6-16-17-9-11-20(3,23)19(17,2)10-8-18(16)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178319 ((3S,10R,13S,17S,Z)-10-(2-chlorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Cl)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29ClO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10-/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14?,15?,16?,17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178325 ((3S,10R,13S,17S,E)-10-(2-bromovinyl)-13-methyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Br)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29BrO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10+/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14?,15?,16?,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178321 ((3S,10R,13S,17S,Z)-10-(2-bromovinyl)-13-methyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Br)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29BrO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10-/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178332 ((3S,10S,13S,17S)-3,17-dihydroxy-13-methyl-2,3,4,7,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h2,11,13-17,21-22H,3-10H2,1H3/t13-,14?,15?,16?,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178324 ((3S,10S,13S,17S)-13-methyl-10-(prop-2-ynyl)-2,3,4,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC#C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H30O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,4,15-19,22-23H,5-13H2,2H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178329 ((3S,10S,13S,17S)-17-ethynyl-13-methyl-10-vinyl-2,3...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@]2(O)C#C |t:7| Show InChI InChI=1S/C22H30O2/c1-4-21-12-8-16(23)14-15(21)6-7-17-18-10-13-22(24,5-2)20(18,3)11-9-19(17)21/h2,4,6,16-19,23-24H,1,7-14H2,3H3/t16-,17?,18?,19?,20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178326 ((3S,10R,13S,17S,Z)-10-(2-methoxyvinyl)-13-methyl-2...) Show SMILES CO\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11| Show InChI InChI=1S/C21H32O3/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h3,11-12,15-19,22-23H,4-10,13H2,1-2H3/b12-11-/t15-,16?,17?,18?,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178331 ((3S,10S,13S,17S,Z)-10-(but-1-enyl)-13-methyl-2,3,4...) Show SMILES CC\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11| Show InChI InChI=1S/C22H34O2/c1-3-4-11-22-13-9-16(23)14-15(22)5-6-17-18-7-8-20(24)21(18,2)12-10-19(17)22/h4-5,11,16-20,23-24H,3,6-10,12-14H2,1-2H3/b11-4-/t16-,17?,18?,19?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178315 ((3S,10S,13S,17S)-13-methyl-10-(prop-1-ynyl)-2,3,4,...) Show SMILES CC#C[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H30O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h4,15-19,22-23H,5-9,11-13H2,1-2H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178317 ((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C#C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h1,4,14-18,21-22H,5-12H2,2H3/t14-,15?,16?,17?,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178333 ((3S,10S,13S,17S,Z)-13-methyl-10-(prop-1-enyl)-2,3,...) Show SMILES C\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,10,15-19,22-23H,5-9,11-13H2,1-2H3/b10-3-/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	718	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178337 ((10S,13S,17S)-17-hydroxy-13-methyl-10-vinyl-1,7,8,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CC[C@@H]2O |t:8| Show InChI InChI=1S/C20H28O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h3,12,15-18,22H,1,4-11H2,2H3/t15?,16?,17?,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	782	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178330 ((3S,10S,13S,17S,E)-13-methyl-10-(prop-1-enyl)-2,3,...) Show SMILES C\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,10,15-19,22-23H,5-9,11-13H2,1-2H3/b10-3+/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	843	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178322 (2-((3S,10S,13S,17S)-3,17-dihydroxy-13-methyl-2,3,4...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=O)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O3/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,11,14-18,22-23H,3-10,12H2,1H3/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178328 ((3S,10S,13S,17S)-13,17-dimethyl-10-vinyl-2,3,4,7,8...) Show SMILES C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@]12C |t:8| Show InChI InChI=1S/C21H32O2/c1-4-21-12-7-15(22)13-14(21)5-6-16-17-9-11-20(3,23)19(17,2)10-8-18(16)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178330 ((3S,10S,13S,17S,E)-13-methyl-10-(prop-1-enyl)-2,3,...) Show SMILES C\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10| Show InChI InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,10,15-19,22-23H,5-9,11-13H2,1-2H3/b10-3+/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178338 ((3S,10R,13S,17S,E)-10-(2-methoxyvinyl)-13-methyl-2...) Show SMILES CO\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11| Show InChI InChI=1S/C21H32O3/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h3,11-12,15-19,22-23H,4-10,13H2,1-2H3/b12-11+/t15-,16?,17?,18?,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178326 ((3S,10R,13S,17S,Z)-10-(2-methoxyvinyl)-13-methyl-2...) Show SMILES CO\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11| Show InChI InChI=1S/C21H32O3/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h3,11-12,15-19,22-23H,4-10,13H2,1-2H3/b12-11-/t15-,16?,17?,18?,19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178335 ((3S,10R,13S,17S,E)-10-(2-chlorovinyl)-13-methyl-2,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Cl)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H29ClO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,10-11,14-18,22-23H,3-9,12H2,1H3/b11-10+/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178322 (2-((3S,10S,13S,17S)-3,17-dihydroxy-13-methyl-2,3,4...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=O)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O3/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,11,14-18,22-23H,3-10,12H2,1H3/t14-,15?,16?,17?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50178324 ((3S,10S,13S,17S)-13-methyl-10-(prop-2-ynyl)-2,3,4,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC#C)C1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H30O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,4,15-19,22-23H,5-13H2,2H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair

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