Found 70 hits of ic50 for UniProtKB: P06211 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 |
|---|
Estrogen receptor beta
(RAT-Rattus norvegicus) | 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
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| PDB
Article
PubMed
| n/a | n/a | 0.354 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(RAT) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| PDB
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(RAT) | BDBM50009716
(Compound 133314 | TRIOXIFENE MESYLATE)Show SMILES CS(O)(=O)=O.COc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCC3)cc2)c2ccccc2CC1 |c:13| Show InChI InChI=1S/C30H31NO3.CH4O3S/c1-33-25-13-8-23(9-14-25)28-17-12-22-6-2-3-7-27(22)29(28)30(32)24-10-15-26(16-11-24)34-21-20-31-18-4-5-19-31;1-5(2,3)4/h2-3,6-11,13-16H,4-5,12,17-21H2,1H3;1H3,(H,2,3,4) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [2,4,6,7-3H]-estradiol from estrogen receptor in immature rat uterine cytosol by dextran-coated charcoal-adsorption assay |
J Med Chem 22: 962-6 (1979)
BindingDB Entry DOI: 10.7270/Q24B32T1 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123209
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | 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
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| PDB
Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol |
J Med Chem 39: 4853-9 (1996)
Article DOI: 10.1021/jm960517e
BindingDB Entry DOI: 10.7270/Q22F7R65 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(RAT) | 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
Reactome pathway
KEGG
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| MMDB
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PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(RAT) | 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
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| MMDB
PDB
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50214281
(Hexestrol | MESO-HEXESTROL)Show SMILES CC[C@@H]([C@@H](CC)c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+ | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity for rat estrogen receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27083M4 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123208
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12 |c:1| Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB
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| Article
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| n/a | n/a | 5.89 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008
BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
MMDB
Reactome pathway
KEGG
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| PDB
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50054811
(CHEMBL106773 | {4-[(Z)-1-(4-Hydroxy-phenyl)-2-phen...)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(25)13-9-18)19-10-14-21(15-11-19)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22- | PDB
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| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol |
J Med Chem 39: 4853-9 (1996)
Article DOI: 10.1021/jm960517e
BindingDB Entry DOI: 10.7270/Q22F7R65 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471710
(CHEMBL317748)Show SMILES [H][C@@]1(CCc2cc(O)ccc2[C@]1([H])c1ccc(OCCN2CCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28-/m1/s1 | PDB
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| Article
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471711
(CHEMBL98892)Show SMILES Oc1ccc2C=C(C(Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 |c:5| Show InChI InChI=1S/C27H27NO3/c29-23-11-8-22-18-25(20-6-2-1-3-7-20)27(31-26(22)19-23)21-9-12-24(13-10-21)30-17-16-28-14-4-5-15-28/h1-3,6-13,18-19,27,29H,4-5,14-17H2 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM20606
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM20606
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(RAT) | BDBM50123207
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
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| 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 for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118989
((2-Chloro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;12.83,-2.2,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15ClO3/c26-21-11-4-3-9-19(21)24(28)25-23(20-13-12-16(27)14-22(20)29-25)18-10-5-7-15-6-1-2-8-17(15)18/h1-14,27H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123206
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1 |t:6| Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50065941
(1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-naphthalen...)Show SMILES COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6| Show InChI InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471707
(CHEMBL98116)Show SMILES Oc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:5| Show InChI InChI=1S/C28H29NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,30H,4-5,10,14,16-19H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118987
((2,4-Dimethyl-phenyl)-(6-hydroxy-3-naphthalen-1-yl...)Show SMILES Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2cccc3ccccc23)c(C)c1 |(14.19,-11.62,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;11.88,-7.63,;11.11,-6.3,;11.88,-4.96,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;4.53,-7.08,;3.18,-7.85,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,;13.4,-7.62,;14.17,-6.29,;14.17,-8.95,)| Show InChI InChI=1S/C27H20O3/c1-16-10-12-20(17(2)14-16)26(29)27-25(23-13-11-19(28)15-24(23)30-27)22-9-5-7-18-6-3-4-8-21(18)22/h3-15,28H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50119003
(Biphenyl-4-yl-(6-hydroxy-3-naphthalen-1-yl-benzofu...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(cc1)-c1ccccc1)-c1cccc2ccccc12 |(3.18,-7.85,;4.53,-7.08,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;11.11,-6.3,;11.88,-4.96,;11.88,-7.63,;13.4,-7.62,;14.17,-8.95,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;14.19,-11.62,;15.72,-11.61,;16.5,-12.94,;15.73,-14.28,;14.19,-14.28,;13.42,-12.95,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,)| Show InChI InChI=1S/C31H20O3/c32-24-17-18-27-28(19-24)34-31(29(27)26-12-6-10-22-9-4-5-11-25(22)26)30(33)23-15-13-21(14-16-23)20-7-2-1-3-8-20/h1-19,32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50123212
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1 |c:12| Show InChI InChI=1S/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Rat Estrogen receptor-alpha |
Bioorg Med Chem Lett 13: 479-83 (2003)
BindingDB Entry DOI: 10.7270/Q2F76BXK |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471709
(CHEMBL421389)Show SMILES COc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C29H33NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21,27,29H,5-6,11,15,17-20H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50154088
(7-Bromo-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...)Show InChI InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50119000
((2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(6-hydroxy-3-n...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCOc2c1)-c1cccc2ccccc12 |(-3.42,-6.75,;-2.09,-5.98,;-2.09,-4.44,;-.76,-3.67,;.59,-4.44,;2.04,-3.95,;2.95,-5.21,;2.04,-6.45,;.59,-5.98,;-.76,-6.75,;4.49,-5.21,;5.26,-3.86,;5.26,-6.54,;4.49,-7.87,;5.26,-9.2,;6.8,-9.2,;7.57,-10.53,;9.11,-10.53,;9.88,-9.18,;9.11,-7.85,;7.57,-7.85,;6.8,-6.52,;2.53,-2.48,;4.02,-2.18,;4.51,-.71,;3.48,.44,;1.97,.11,;.94,1.23,;-.55,.91,;-1.02,-.57,;.01,-1.69,;1.5,-1.36,)| Show InChI InChI=1S/C27H18O5/c28-18-9-10-21-23(15-18)32-27(25(21)20-7-3-5-16-4-1-2-6-19(16)20)26(29)17-8-11-22-24(14-17)31-13-12-30-22/h1-11,14-15,28H,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118999
((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-phen...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H16O3/c26-18-13-14-21-22(15-18)28-25(24(27)17-8-2-1-3-9-17)23(21)20-12-6-10-16-7-4-5-11-19(16)20/h1-15,26H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50154084
(7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzooxazol-...)Show InChI InChI=1S/C13H7BrFNO3/c14-8-4-7(17)5-10-12(8)19-13(16-10)6-1-2-11(18)9(15)3-6/h1-5,17-18H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118993
((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-(4-h...)Show SMILES Oc1ccc(cc1)C(=O)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 |(9.95,-10.72,;9.17,-9.38,;7.62,-9.38,;6.85,-8.05,;7.63,-6.72,;9.17,-6.71,;9.94,-8.03,;6.86,-5.39,;7.63,-4.05,;5.32,-5.39,;4.4,-6.62,;2.95,-6.16,;1.6,-6.93,;.27,-6.16,;-1.08,-6.93,;.27,-4.61,;1.6,-3.84,;2.95,-4.61,;4.4,-4.12,;4.89,-2.67,;6.39,-2.35,;6.87,-.87,;5.85,.27,;4.33,-.05,;3.3,1.07,;1.8,.74,;1.33,-.73,;2.36,-1.86,;3.86,-1.53,)| Show InChI InChI=1S/C25H16O4/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,26-27H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50119006
((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-(6-hyd...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCCOc2c1)-c1cccc2ccccc12 |(-4.19,-6.1,;-2.85,-5.33,;-2.85,-3.79,;-1.52,-3.02,;-.18,-3.79,;1.28,-3.3,;2.19,-4.56,;1.28,-5.79,;-.18,-5.33,;-1.52,-6.1,;3.73,-4.56,;4.5,-3.2,;4.5,-5.89,;3.72,-7.22,;4.49,-8.55,;6.03,-8.55,;6.59,-9.97,;8.06,-10.41,;9.34,-9.54,;9.43,-8.01,;8.31,-6.96,;6.8,-7.19,;6.03,-5.86,;1.76,-1.83,;3.27,-1.52,;3.74,-.05,;2.71,1.09,;1.2,.76,;.17,1.88,;-1.32,1.56,;-1.79,.09,;-.76,-1.03,;.73,-.71,)| Show InChI InChI=1S/C28H20O5/c29-19-10-11-22-24(16-19)33-28(26(22)21-8-3-6-17-5-1-2-7-20(17)21)27(30)18-9-12-23-25(15-18)32-14-4-13-31-23/h1-3,5-12,15-16,29H,4,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding affinity for Estrogen receptor alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50119004
((3-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(F)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15FO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50166895
(3-(4-Hydroxy-phenyl)-4H-chromen-7-ol | CHEMBL19556...)Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8-9,16-17H,7H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008
BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118998
((3-Bromo-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benz...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(Br)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15BrO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471708
(CHEMBL100303)Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m0/s1 | PDB
UniProtKB/SwissProt
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118997
((4-Difluoromethoxy-phenyl)-(6-hydroxy-3-naphthalen...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OC(F)F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.07,-8.87,;12.84,-10.2,;10.53,-8.87,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C26H16F2O4/c27-26(28)31-18-11-8-16(9-12-18)24(30)25-23(21-13-10-17(29)14-22(21)32-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,26,29H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50119002
((4-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15FO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50154045
(5-Hydroxy-2-(4-hydroxy-phenyl)-benzooxazole-7-carb...)Show InChI InChI=1S/C14H8N2O3/c15-7-9-5-11(18)6-12-13(9)19-14(16-12)8-1-3-10(17)4-2-8/h1-6,17-18H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118990
((4-Bromo-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benz...)Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(Br)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15BrO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118992
((2-Chloro-phenyl)-[6-hydroxy-3-(2-methoxy-benzyl)-...)Show SMILES COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H17ClO4/c1-27-20-9-5-2-6-14(20)12-18-16-11-10-15(25)13-21(16)28-23(18)22(26)17-7-3-4-8-19(17)24/h2-11,13,25H,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50119001
((2,4-Dimethyl-phenyl)-[6-hydroxy-3-(2-methoxy-benz...)Show SMILES COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccc(C)cc1C Show InChI InChI=1S/C25H22O4/c1-15-8-10-19(16(2)12-15)24(27)25-21(13-17-6-4-5-7-22(17)28-3)20-11-9-18(26)14-23(20)29-25/h4-12,14,26H,13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50118988
((2-Chloro-phenyl)-(6-hydroxy-3-phenyl-benzofuran-2...)Show InChI InChI=1S/C21H13ClO3/c22-17-9-5-4-8-15(17)20(24)21-19(13-6-2-1-3-7-13)16-11-10-14(23)12-18(16)25-21/h1-12,23H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50470950
(CHEMBL358975)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(CC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O3/c1-2-22(18-6-4-3-5-7-18)24(20-12-14-21(25)15-13-20)19-10-8-17(9-11-19)16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol |
J Med Chem 39: 4853-9 (1996)
Article DOI: 10.1021/jm960517e
BindingDB Entry DOI: 10.7270/Q22F7R65 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50154055
(2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...)Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 618 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50419932
(IDRONOXIL)Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008
BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50154050
(3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol | 3-(4-...)Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-14-13/h1-7,15-16H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 716 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50470953
(CHEMBL145356)Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C24H22O5/c1-2-22(16-7-13-21(14-8-16)29-15-23(27)28)24(17-3-9-19(25)10-4-17)18-5-11-20(26)12-6-18/h3-14,25-26H,2,15H2,1H3,(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description
Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol |
J Med Chem 39: 4853-9 (1996)
Article DOI: 10.1021/jm960517e
BindingDB Entry DOI: 10.7270/Q22F7R65 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50154053
(2-(4-Hydroxy-phenyl)-benzooxazol-6-ol | 2-(4-hydro...)Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 821 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50276006
(CHEMBL472469 | Dimethyl-{2-[4-(4-thiophen-2-yl-2,3...)Show SMILES CN(C)CCOc1ccc(cc1)C1=C(CCOc2ccccc12)c1cccs1 |t:13| Show InChI InChI=1S/C24H25NO2S/c1-25(2)14-16-26-19-11-9-18(10-12-19)24-20-6-3-4-7-22(20)27-15-13-21(24)23-8-5-17-28-23/h3-12,17H,13-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 828 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from ERalpha in rat uteri cytosol by competitive radiometric binding assay |
Bioorg Med Chem 16: 9554-73 (2008)
Article DOI: 10.1016/j.bmc.2008.09.035
BindingDB Entry DOI: 10.7270/Q2MW2GZ8 |
More data for this
Ligand-Target Pair | |
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