Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50038046   

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 at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					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 at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					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 Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50211101 ((8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-10-vi...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=C)[C@@H]1CC[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 Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223235 ((8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C21H30O/c1-4-21-12-9-14(2)13-15(21)5-6-16-17-7-8-19(22)20(17,3)11-10-18(16)21/h4-5,13,16-19,22H,1,6-12H2,2-3H3/t16-,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	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223229 ((8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 |t:1,3| Show InChI InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h4,12,15-18,21H,5-11H2,1-3H3/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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223237 ((3beta,17beta)-androst-5-ene-3,17-diol | 3beta,17b...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[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 KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211106 ((3S,8R,9S,10S,13S,14S,17S)-13-methyl-10-vinyl-2,3,...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[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 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 at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223228 ((3S,8R,9S,10S,13S,14S,17S)-17-ethynyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[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 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 at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223236 ((3S,8R,9S,10S,13S,14S,17S)-13,17-dimethyl-10-vinyl...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[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 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 at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					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	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211106 ((3S,8R,9S,10S,13S,14S,17S)-13-methyl-10-vinyl-2,3,...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[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 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 Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223234 ((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-methylene...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h12,15-18,21H,1,4-11H2,2-3H3/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223234 ((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-methylene...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h12,15-18,21H,1,4-11H2,2-3H3/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223238 ((8R,9S,10S,13S,14S,17S)-3,13,17-trimethyl-10-vinyl...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C22H32O/c1-5-22-13-8-15(2)14-16(22)6-7-17-18-10-12-21(4,23)20(18,3)11-9-19(17)22/h5-6,14,17-19,23H,1,7-13H2,2-4H3/t17-,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	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223225 ((8R,9S,10S,13S,14S,17S)-3-chloro-13-methyl-10-viny...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C=C(Cl)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7,9| Show InChI InChI=1S/C20H27ClO/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/h3-4,12,15-18,22H,1,5-11H2,2H3/t15-,16-,17-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223226 ((8R,9S,10S,13S,14S,17S)-17-ethynyl-3,13-dimethyl-1...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C23H30O/c1-5-22-13-9-16(3)15-17(22)7-8-18-19-11-14-23(24,6-2)21(19,4)12-10-20(18)22/h2,5,7,15,18-20,24H,1,8-14H2,3-4H3/t18-,19-,20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223229 ((8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 |t:1,3| Show InChI InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h4,12,15-18,21H,5-11H2,1-3H3/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223227 ((8R,9S,10S,13S,14S,17S)-3-ethyl-13-methyl-10-vinyl...) Show SMILES CCC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:2,4| Show InChI InChI=1S/C22H32O/c1-4-15-10-13-22(5-2)16(14-15)6-7-17-18-8-9-20(23)21(18,3)12-11-19(17)22/h5-6,14,17-20,23H,2,4,7-13H2,1,3H3/t17-,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	115	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223233 ((8R,9S,10S,13S,14S,17S)-13-methyl-3-methylene-10-v...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C21H30O/c1-4-21-12-9-14(2)13-15(21)5-6-16-17-7-8-19(22)20(17,3)11-10-18(16)21/h4,13,16-19,22H,1-2,5-12H2,3H3/t16-,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	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223228 ((3S,8R,9S,10S,13S,14S,17S)-17-ethynyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[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 Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223236 ((3S,8R,9S,10S,13S,14S,17S)-13,17-dimethyl-10-vinyl...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[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 Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223237 ((3beta,17beta)-androst-5-ene-3,17-diol | 3beta,17b...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[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 KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223237 ((3beta,17beta)-androst-5-ene-3,17-diol | 3beta,17b...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[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 KEGG MMDB PC cid PC sid PDB 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 at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223232 ((3S,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)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 Similars	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223228 ((3S,8R,9S,10S,13S,14S,17S)-17-ethynyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[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 Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223233 ((8R,9S,10S,13S,14S,17S)-13-methyl-3-methylene-10-v...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C21H30O/c1-4-21-12-9-14(2)13-15(21)5-6-16-17-7-8-19(22)20(17,3)11-10-18(16)21/h4,13,16-19,22H,1-2,5-12H2,3H3/t16-,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	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223227 ((8R,9S,10S,13S,14S,17S)-3-ethyl-13-methyl-10-vinyl...) Show SMILES CCC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:2,4| Show InChI InChI=1S/C22H32O/c1-4-15-10-13-22(5-2)16(14-15)6-7-17-18-8-9-20(23)21(18,3)12-11-19(17)22/h5-6,14,17-20,23H,2,4,7-13H2,1,3H3/t17-,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 Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223238 ((8R,9S,10S,13S,14S,17S)-3,13,17-trimethyl-10-vinyl...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C22H32O/c1-5-22-13-8-15(2)14-16(22)6-7-17-18-10-12-21(4,23)20(18,3)11-9-19(17)22/h5-6,14,17-19,23H,1,7-13H2,2-4H3/t17-,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 Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223235 ((8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C21H30O/c1-4-21-12-9-14(2)13-15(21)5-6-16-17-7-8-19(22)20(17,3)11-10-18(16)21/h4-5,13,16-19,22H,1,6-12H2,2-3H3/t16-,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	560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223234 ((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-methylene...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h12,15-18,21H,1,4-11H2,2-3H3/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	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211101 ((8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-10-vi...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=C)[C@@H]1CC[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	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223232 ((3S,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)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 Similars	Article PubMed	n/a	n/a	842	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223236 ((3S,8R,9S,10S,13S,14S,17S)-13,17-dimethyl-10-vinyl...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[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 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 at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223235 ((8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C21H30O/c1-4-21-12-9-14(2)13-15(21)5-6-16-17-7-8-19(22)20(17,3)11-10-18(16)21/h4-5,13,16-19,22H,1,6-12H2,2-3H3/t16-,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	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223226 ((8R,9S,10S,13S,14S,17S)-17-ethynyl-3,13-dimethyl-1...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C23H30O/c1-5-22-13-9-16(3)15-17(22)7-8-18-19-11-14-23(24,6-2)21(19,4)12-10-20(18)22/h2,5,7,15,18-20,24H,1,8-14H2,3-4H3/t18-,19-,20-,21-,22-,23-/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	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223231 ((8R,9S,10S,13S,14S,17S)-13-methyl-3-phenyl-10-viny...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O |c:9,t:7| Show InChI InChI=1S/C26H32O/c1-3-26-16-13-19(18-7-5-4-6-8-18)17-20(26)9-10-21-22-11-12-24(27)25(22,2)15-14-23(21)26/h3-9,17,21-24,27H,1,10-16H2,2H3/t21-,22-,23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223226 ((8R,9S,10S,13S,14S,17S)-17-ethynyl-3,13-dimethyl-1...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C23H30O/c1-5-22-13-9-16(3)15-17(22)7-8-18-19-11-14-23(24,6-2)21(19,4)12-10-20(18)22/h2,5,7,15,18-20,24H,1,8-14H2,3-4H3/t18-,19-,20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211106 ((3S,8R,9S,10S,13S,14S,17S)-13-methyl-10-vinyl-2,3,...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[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 Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223229 ((8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 |t:1,3| Show InChI InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h4,12,15-18,21H,5-11H2,1-3H3/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	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)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 Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)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 Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223227 ((8R,9S,10S,13S,14S,17S)-3-ethyl-13-methyl-10-vinyl...) Show SMILES CCC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:2,4| Show InChI InChI=1S/C22H32O/c1-4-15-10-13-22(5-2)16(14-15)6-7-17-18-8-9-20(23)21(18,3)12-11-19(17)22/h5-6,14,17-20,23H,2,4,7-13H2,1,3H3/t17-,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	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50223231 ((8R,9S,10S,13S,14S,17S)-13-methyl-3-phenyl-10-viny...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O |c:9,t:7| Show InChI InChI=1S/C26H32O/c1-3-26-16-13-19(18-7-5-4-6-8-18)17-20(26)9-10-21-22-11-12-24(27)25(22,2)15-14-23(21)26/h3-9,17,21-24,27H,1,10-16H2,2H3/t21-,22-,23-,24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223238 ((8R,9S,10S,13S,14S,17S)-3,13,17-trimethyl-10-vinyl...) Show SMILES CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3| Show InChI InChI=1S/C22H32O/c1-5-22-13-8-15(2)14-16(22)6-7-17-18-10-12-21(4,23)20(18,3)11-9-19(17)22/h5-6,14,17-19,23H,1,7-13H2,2-4H3/t17-,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	4.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223232 ((3S,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)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 Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223225 ((8R,9S,10S,13S,14S,17S)-3-chloro-13-methyl-10-viny...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C=C(Cl)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7,9| Show InChI InChI=1S/C20H27ClO/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/h3-4,12,15-18,22H,1,5-11H2,2H3/t15-,16-,17-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211101 ((8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-10-vi...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=C)[C@@H]1CC[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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223233 ((8R,9S,10S,13S,14S,17S)-13-methyl-3-methylene-10-v...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C21H30O/c1-4-21-12-9-14(2)13-15(21)5-6-16-17-7-8-19(22)20(17,3)11-10-18(16)21/h4,13,16-19,22H,1-2,5-12H2,3H3/t16-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223231 ((8R,9S,10S,13S,14S,17S)-13-methyl-3-phenyl-10-viny...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O |c:9,t:7| Show InChI InChI=1S/C26H32O/c1-3-26-16-13-19(18-7-5-4-6-8-18)17-20(26)9-10-21-22-11-12-24(27)25(22,2)15-14-23(21)26/h3-9,17,21-24,27H,1,10-16H2,2H3/t21-,22-,23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair

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