Found 27 hits for monomerid = 17289 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
| Assay Description Inhibition of (unknown origin) 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+ |
Eur J Med Chem 43: 2298-306 (2008)
Article DOI: 10.1016/j.ejmech.2008.01.044 BindingDB Entry DOI: 10.7270/Q2P84BP6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human estradiol 17beta-dehydrogenase |
J Med Chem 54: 2529-91 (2011)
Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Corticosteroid-binding globulin
(Homo sapiens) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
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| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins) |
J Med Chem 47: 2732-42 (2004)
Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q |
More data for this Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | Reactome pathway KEGG
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| 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326 BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family G member 2
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| DrugBank PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance(Mitoxantrone) in BCRP-expressing K562 cells |
Mol Cancer Ther 2: 105-12 (2003)
BindingDB Entry DOI: 10.7270/Q2J104FD |
More data for this Ligand-Target Pair | |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
| Assay Description Inhibition of (unknown origin) 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADH |
Eur J Med Chem 43: 2298-306 (2008)
Article DOI: 10.1016/j.ejmech.2008.01.044 BindingDB Entry DOI: 10.7270/Q2P84BP6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
| Assay Description Inhibition of (unknown origin) 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol |
Eur J Med Chem 43: 2298-306 (2008)
Article DOI: 10.1016/j.ejmech.2008.01.044 BindingDB Entry DOI: 10.7270/Q2P84BP6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement. |
Bioorg Med Chem Lett 14: 2327-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement. |
Bioorg Med Chem Lett 14: 2327-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS |
More data for this Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay |
Bioorg Med Chem 19: 5999-6005 (2011)
Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ |
More data for this Ligand-Target Pair | |
Estradiol receptor beta (ERβ)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Ability to activate estrogen receptor 2-mediated transcription. |
Bioorg Med Chem Lett 14: 2327-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Ability to activate estrogen receptor 1-mediated transcription. |
Bioorg Med Chem Lett 14: 2327-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
CHUQ-Pavillon CHUL and Universit£ Laval
Curated by ChEMBL
| Assay Description Inhibition of 17beta-HSD1 in human T47D cells assessed as inhibition of transformation of [14C]-estrone into [14C]estrogen |
Bioorg Med Chem 16: 1849-60 (2008)
Article DOI: 10.1016/j.bmc.2007.11.007 BindingDB Entry DOI: 10.7270/Q2KP8302 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-binding cassette sub-family G member 2
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| DrugBank PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance(SN-38) in BCRP-expressing K562 cells |
Mol Cancer Ther 2: 105-12 (2003)
BindingDB Entry DOI: 10.7270/Q2J104FD |
More data for this Ligand-Target Pair | |
Testis-specific androgen-binding protein
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
NCI pathway KEGG
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| Article PubMed
| n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin |
J Med Chem 51: 2047-56 (2008)
Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 |
More data for this Ligand-Target Pair | |
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Experimental Genetics
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting |
Bioorg Med Chem Lett 19: 6740-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.113 BindingDB Entry DOI: 10.7270/Q20K29HP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Experimental Genetics
Curated by ChEMBL
| Assay Description Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells |
Bioorg Med Chem Lett 19: 6740-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.113 BindingDB Entry DOI: 10.7270/Q20K29HP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
FIN-00014 University of Helsinki
Curated by ChEMBL
| Assay Description Activity at human recombinant ERalpha by fluorescence polarization assay |
J Med Chem 52: 6660-71 (2009)
Article DOI: 10.1021/jm900928k BindingDB Entry DOI: 10.7270/Q2RV0PMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
FIN-00014 University of Helsinki
Curated by ChEMBL
| Assay Description Activity at human recombinant ERbeta by fluorescence polarization assay |
J Med Chem 52: 6660-71 (2009)
Article DOI: 10.1021/jm900928k BindingDB Entry DOI: 10.7270/Q2RV0PMD |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CHU de Qu£bec - Research Center (CHUL
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45... |
Bioorg Med Chem Lett 26: 5272-5276 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.046 BindingDB Entry DOI: 10.7270/Q2V98B2J |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this Ligand-Target Pair | |
Ghrelin O-acyltransferase
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Syracuse University
| Assay Description Assays were performed with ~100 μg of membrane protein, as determined by a Bradford assay. The membrane fraction was preincubated with 1 μM met... |
Biochemistry 56: 919-931 (2017)
Article DOI: 10.1021/acs.biochem.6b01008 BindingDB Entry DOI: 10.7270/Q270808D |
More data for this Ligand-Target Pair | |
Estradiol receptor beta (ERβ)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
Similars
| Article PubMed
| n/a | n/a | 1.14E+3 | n/a | 2.10 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals
| Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... |
J Med Chem 45: 1399-401 (2002)
Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 480 | n/a | 0.700 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals
| Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... |
J Med Chem 45: 1399-401 (2002)
Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 29 | n/a | 166 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor... |
J Med Chem 49: 2440-55 (2006)
Article DOI: 10.1021/jm0509389 BindingDB Entry DOI: 10.7270/Q2WH2N82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 31 | n/a | 26 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor... |
J Med Chem 49: 2440-55 (2006)
Article DOI: 10.1021/jm0509389 BindingDB Entry DOI: 10.7270/Q2WH2N82 |
More data for this Ligand-Target Pair | |