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 | |