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Compile Data Set for Download or QSAR

Found 21 hits of ec50 for UniProtKB: P06211   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50227469
PNG
(CHEMBL285536)
Show SMILES Oc1ccc(cc1)C(=Cc1ccc(F)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H15FO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H
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n/an/an/an/a 2.90n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50023749
PNG
(4-(1,2-diphenyl-vinyl)-phenol | 4-[1-(4-hydroxyphe...)
Show SMILES Oc1ccc(cc1)C(=Cc1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H
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n/an/an/an/a 3.20n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50227471
PNG
(CHEMBL287352)
Show SMILES Oc1ccc(cc1)C(=Cc1ccc(I)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H15IO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H
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n/an/an/an/a 3.30n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50227470
PNG
(CHEMBL34648)
Show SMILES Oc1ccc(cc1)C(=C(Cl)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H15ClO2/c21-20(16-4-2-1-3-5-16)19(14-6-10-17(22)11-7-14)15-8-12-18(23)13-9-15/h1-13,22-23H
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n/an/an/an/a 4.5n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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
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n/an/an/an/a 5.70n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/an/an/a 6n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50227471
PNG
(CHEMBL287352)
Show SMILES Oc1ccc(cc1)C(=Cc1ccc(I)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H15IO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H
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n/an/an/an/a 9.5n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50227468
PNG
(CHEMBL33879)
Show SMILES Oc1ccc(cc1)C(=Cc1ccc(Br)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H15BrO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H
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n/an/an/an/a 10n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50227469
PNG
(CHEMBL285536)
Show SMILES Oc1ccc(cc1)C(=Cc1ccc(F)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H15FO2/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h1-13,22-23H
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n/an/an/an/a 170n/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol


J Med Chem 31: 1471-5 (1988)


Article DOI: 10.1021/jm00402a037
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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
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n/an/an/an/a 917n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor in immature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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n/an/an/an/a 1.68E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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
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n/an/an/an/a 1.83E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228276
PNG
(CHEMBL1627365)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=C
Show InChI InChI=1S/C19H24O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11,16-18,20H,1,3-4,6,8-10H2,2H3/t16-,17-,18+,19-/m1/s1
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n/an/an/an/a 2.98E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228275
PNG
(CHEMBL1627370)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C20H24O3/c1-3-20(23)9-8-16-15-6-4-12-10-13(21)5-7-14(12)18(15)17(22)11-19(16,20)2/h1,5,7,10,15-18,21-23H,4,6,8-9,11H2,2H3/t15-,16-,17-,18+,19-,20-/m0/s1
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n/an/an/an/a 1.66E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in immature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228274
PNG
(CHEMBL1627389)
Show SMILES CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@@H](O)C[C@]12C
Show InChI InChI=1S/C20H28O2/c1-3-13-5-9-17-16-7-4-12-10-14(21)6-8-15(12)19(16)18(22)11-20(13,17)2/h6,8,10,13,16-19,21-22H,3-5,7,9,11H2,1-2H3/t13-,16-,17-,18-,19+,20+/m0/s1
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n/an/an/an/a 1.86E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in immature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228273
PNG
(CHEMBL1627375)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(O)C#C)[C@H](O)Cc1cc(O)ccc31
Show InChI InChI=1S/C20H24O3/c1-3-20(23)9-7-16-18-15(6-8-19(16,20)2)14-5-4-13(21)10-12(14)11-17(18)22/h1,4-5,10,15-18,21-23H,6-9,11H2,2H3/t15-,16+,17-,18-,19+,20+/m1/s1
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n/an/an/an/a 1.92E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228277
PNG
(CHEMBL1627386)
Show SMILES CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C20H28O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h6,8,12,14,17-19,21H,3-5,7,9-11H2,1-2H3/t14-,17+,18+,19-,20+/m0/s1
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n/an/an/an/a 2.81E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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n/an/an/an/a>3.37E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in immature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228275
PNG
(CHEMBL1627370)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C20H24O3/c1-3-20(23)9-8-16-15-6-4-12-10-13(21)5-7-14(12)18(15)17(22)11-19(16,20)2/h1,5,7,10,15-18,21-23H,4,6,8-9,11H2,2H3/t15-,16-,17-,18+,19-,20-/m0/s1
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n/an/an/an/a 5.12E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228273
PNG
(CHEMBL1627375)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(O)C#C)[C@H](O)Cc1cc(O)ccc31
Show InChI InChI=1S/C20H24O3/c1-3-20(23)9-7-16-18-15(6-8-19(16,20)2)14-5-4-13(21)10-12(14)11-17(18)22/h1,4-5,10,15-18,21-23H,6-9,11H2,2H3/t15-,16+,17-,18-,19+,20+/m1/s1
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n/an/an/an/a 5.76E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor in immature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50228277
PNG
(CHEMBL1627386)
Show SMILES CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C20H28O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h6,8,12,14,17-19,21H,3-5,7,9-11H2,1-2H3/t14-,17+,18+,19-,20+/m0/s1
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n/an/an/an/a 7.03E+4n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor in immature rat


J Med Chem 32: 1642-52 (1989)


Article DOI: 10.1021/jm00127a040
More data for this
Ligand-Target Pair