Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50038024   

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 recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211111 ((3S,8R,9S,10S,13S,14S,17S,Z)-13-methyl-10-(prop-1-...) Show SMILES C\C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |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	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 recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211100 ((3S,8R,9S,10R,13S,14S,17S)-10-ethyl-13-methyl-2,3,...) Show SMILES CC[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |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 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 recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211110 ((1R,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211103 ((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,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	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211102 ((1S,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |c:11,t:7| Show InChI InChI=1S/C21H30O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h2,5,10,13-15,17-19,22-23H,3-4,6-9,11-12H2,1H3/t13-,14+,15-,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	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211100 ((3S,8R,9S,10R,13S,14S,17S)-10-ethyl-13-methyl-2,3,...) Show SMILES CC[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |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 Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211102 ((1S,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |c:11,t:7| Show InChI InChI=1S/C21H30O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h2,5,10,13-15,17-19,22-23H,3-4,6-9,11-12H2,1H3/t13-,14+,15-,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	157	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211110 ((1R,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	317	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211103 ((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,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	322	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211104 ((1S,2S,5S,6S,9S,10R,15S)-5-methyl-16-oxapentacyclo...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-8-7-17-15(16(19)4-5-18(19)21)3-2-13-12-14-6-9-20(13,17)10-11-22-14/h2,14-18,21H,3-12H2,1H3/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	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211111 ((3S,8R,9S,10S,13S,14S,17S,Z)-13-methyl-10-(prop-1-...) Show SMILES C\C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |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	718	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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	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 recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	854	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,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	>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 androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211109 ((1S,2S,5S,6S,9S,10R,15S)-6-hydroxy-5-methyl-16-oxa...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-7-16-14(15(19)4-5-17(19)21)3-2-12-10-13-6-9-20(12,16)11-18(22)23-13/h2,13-17,21H,3-11H2,1H3/t13-,14-,15-,16-,17-,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	>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 androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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	>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 androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211099 ((1S,2S,5S,6S,9S,10R,14S,19R)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,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	>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 androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50211110 ((1R,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211113 ((1R,2S,5S,6S,9S,10R,14R)-6-hydroxy-5-methylpentacy...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16,18,22H,2,4-11H2,1H3/t12-,13+,14-,16-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+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 recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211111 ((3S,8R,9S,10S,13S,14S,17S,Z)-13-methyl-10-(prop-1-...) Show SMILES C\C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |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	1.96E+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 recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211102 ((1S,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |c:11,t:7| Show InChI InChI=1S/C21H30O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h2,5,10,13-15,17-19,22-23H,3-4,6-9,11-12H2,1H3/t13-,14+,15-,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	2.24E+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 recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211100 ((3S,8R,9S,10R,13S,14S,17S)-10-ethyl-13-methyl-2,3,...) Show SMILES CC[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |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 Similars	Article PubMed	n/a	n/a	2.33E+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 recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,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	3.02E+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 recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211103 ((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,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	4.99E+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 recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	8.14E+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 recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211109 ((1S,2S,5S,6S,9S,10R,15S)-6-hydroxy-5-methyl-16-oxa...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-7-16-14(15(19)4-5-17(19)21)3-2-12-10-13-6-9-20(12,16)11-18(22)23-13/h2,13-17,21H,3-11H2,1H3/t13-,14-,15-,16-,17-,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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211113 ((1R,2S,5S,6S,9S,10R,14R)-6-hydroxy-5-methylpentacy...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16,18,22H,2,4-11H2,1H3/t12-,13+,14-,16-,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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211109 ((1S,2S,5S,6S,9S,10R,15S)-6-hydroxy-5-methyl-16-oxa...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-7-16-14(15(19)4-5-17(19)21)3-2-12-10-13-6-9-20(12,16)11-18(22)23-13/h2,13-17,21H,3-11H2,1H3/t13-,14-,15-,16-,17-,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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB 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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211104 ((1S,2S,5S,6S,9S,10R,15S)-5-methyl-16-oxapentacyclo...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-8-7-17-15(16(19)4-5-18(19)21)3-2-13-12-14-6-9-20(13,17)10-11-22-14/h2,14-18,21H,3-12H2,1H3/t14-,15-,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	>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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB 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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211104 ((1S,2S,5S,6S,9S,10R,15S)-5-methyl-16-oxapentacyclo...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-8-7-17-15(16(19)4-5-18(19)21)3-2-13-12-14-6-9-20(13,17)10-11-22-14/h2,14-18,21H,3-12H2,1H3/t14-,15-,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	>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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211099 ((1S,2S,5S,6S,9S,10R,14S,19R)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211099 ((1S,2S,5S,6S,9S,10R,14S,19R)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,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 to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair

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