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Compile Data Set for Download or QSAR

Found 57 hits for UniProtKB: P06211   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Estrogen receptor


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3
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200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM19441
PNG
(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
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT)
BDBM50009716
PNG
(Compound 133314 | TRIOXIFENE MESYLATE)
Show SMILES CS(O)(=O)=O.COc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCC3)cc2)c2ccccc2CC1
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)
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n/an/a 1.70n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123209
PNG
(5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...)
Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1
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
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
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/a 1.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50214281
PNG
(Hexestrol | MESO-HEXESTROL)
Show SMILES CC[C@@H]([C@@H](CC)c1ccc(O)cc1)c1ccc(O)cc1
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+
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for rat estrogen receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
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/a 2n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT)
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
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
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50169743
PNG
((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
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
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PubMed
n/an/a 5.89n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM19441
PNG
(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
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n/an/a 7n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(RAT)
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1
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
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118989
PNG
((2-Chloro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1cccc2ccccc12
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
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n/an/a 30n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123206
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol |...)
Show SMILES Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1
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
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118987
PNG
((2,4-Dimethyl-phenyl)-(6-hydroxy-3-naphthalen-1-yl...)
Show SMILES Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2cccc3ccccc23)c(C)c1
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
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n/an/a 75n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119003
PNG
(Biphenyl-4-yl-(6-hydroxy-3-naphthalen-1-yl-benzofu...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(cc1)-c1ccccc1)-c1cccc2ccccc12
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
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n/an/a 99n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123212
PNG
(2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | CHEMBL439...)
Show SMILES Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1
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
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154088
PNG
(7-Bromo-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | 7-...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1
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
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n/an/a 132n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119000
PNG
((2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(6-hydroxy-3-n...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCOc2c1)-c1cccc2ccccc12
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
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n/an/a 140n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118999
PNG
((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-phen...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1cccc2ccccc12
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
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n/an/a 150n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154084
PNG
(7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzooxazol-...)
Show SMILES Oc1cc(Br)c2oc(nc2c1)-c1ccc(O)c(F)c1
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
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n/an/a 171n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118993
PNG
((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-(4-h...)
Show SMILES Oc1ccc(cc1)C(=O)c1oc2cc(O)ccc2c1-c1cccc2ccccc12
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
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n/an/a 180n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119006
PNG
((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-(6-hyd...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCCOc2c1)-c1cccc2ccccc12
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
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n/an/a 190n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding affinity for Estrogen receptor alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119004
PNG
((3-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(F)c1)-c1cccc2ccccc12
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
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n/an/a 200n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50166895
PNG
(3-(4-Hydroxy-phenyl)-4H-chromen-7-ol | CHEMBL19556...)
Show SMILES Oc1ccc(cc1)C1=COc2cc(O)ccc2C1
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
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n/an/a 234n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118998
PNG
((3-Bromo-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benz...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(Br)c1)-c1cccc2ccccc12
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
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n/an/a 250n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118997
PNG
((4-Difluoromethoxy-phenyl)-(6-hydroxy-3-naphthalen...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OC(F)F)cc1)-c1cccc2ccccc12
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
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n/an/a 300n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119002
PNG
((4-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(F)cc1)-c1cccc2ccccc12
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
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n/an/a 360n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154045
PNG
(5-Hydroxy-2-(4-hydroxy-phenyl)-benzooxazole-7-carb...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C#N)c2o1
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
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n/an/a 362n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119001
PNG
((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
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n/an/a 380n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118992
PNG
((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
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n/an/a 380n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118990
PNG
((4-Bromo-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benz...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(Br)cc1)-c1cccc2ccccc12
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
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n/an/a 380n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118988
PNG
((2-Chloro-phenyl)-(6-hydroxy-3-phenyl-benzofuran-2...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1ccccc1
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
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n/an/a 390n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154055
PNG
(2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...)
Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1
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
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n/an/a 618n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50419932
PNG
(IDRONOXIL)
Show SMILES Oc1ccc(cc1)C1=Cc2ccc(O)cc2OC1
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
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n/an/a 661n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154050
PNG
(3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol | 3-(4-...)
Show SMILES Oc1ccc(cc1)-c1noc2cc(O)ccc12
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
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n/an/a 716n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154053
PNG
(2-(4-Hydroxy-phenyl)-benzooxazol-6-ol | 2-(4-hydro...)
Show SMILES Oc1ccc(cc1)-c1nc2ccc(O)cc2o1
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
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n/an/a 821n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50276006
PNG
(CHEMBL472469 | Dimethyl-{2-[4-(4-thiophen-2-yl-2,3...)
Show SMILES CN(C)CCOc1ccc(cc1)C1=C(CCOc2ccccc12)c1cccs1
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
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n/an/a 828n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154057
PNG
(2-(4-Hydroxy-phenyl)-benzooxazol-5-ol | 2-(4-hydro...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)ccc2o1
Show InChI InChI=1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
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n/an/a 1.30E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118995
PNG
((6-Hydroxy-3-phenyl-benzofuran-2-yl)-phenyl-methan...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(19(17)14-7-3-1-4-8-14)20(23)15-9-5-2-6-10-15/h1-13,22H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50410528
PNG
(CHEMBL198877)
Show SMILES Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1
Show InChI InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50154110
PNG
(5-Hydroxy-2-(4-hydroxy-phenyl)-benzooxazole-7-carb...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)cc(C=O)c2o1
Show InChI InChI=1S/C14H9NO4/c16-7-9-5-11(18)6-12-13(9)19-14(15-12)8-1-3-10(17)4-2-8/h1-7,17-18H
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n/an/a 2.25E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50119005
PNG
((2-Chloro-phenyl)-(6-hydroxy-3-pentyl-benzofuran-2...)
Show SMILES CCCCCc1c(oc2cc(O)ccc12)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H19ClO3/c1-2-3-4-7-15-14-11-10-13(22)12-18(14)24-20(15)19(23)16-8-5-6-9-17(16)21/h5-6,8-12,22H,2-4,7H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118994
PNG
((2,4-Dimethyl-phenyl)-(6-hydroxy-3-phenyl-benzofur...)
Show SMILES Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2ccccc2)c(C)c1
Show InChI InChI=1S/C23H18O3/c1-14-8-10-18(15(2)12-14)22(25)23-21(16-6-4-3-5-7-16)19-11-9-17(24)13-20(19)26-23/h3-13,24H,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50419934
PNG
(CHEMBL1957041)
Show SMILES Oc1ccc2CC(COc2c1)c1ccccc1
Show InChI InChI=1S/C15H14O2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11/h1-7,9,13,16H,8,10H2
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n/an/a 3.63E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118991
PNG
((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-[4-(...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OCCN2CCCCC2)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H29NO4/c34-24-13-16-28-29(21-24)37-32(30(28)27-10-6-8-22-7-2-3-9-26(22)27)31(35)23-11-14-25(15-12-23)36-20-19-33-17-4-1-5-18-33/h2-3,6-16,21,34H,1,4-5,17-20H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50214283
PNG
(CHEMBL266377)
Show SMILES CC[C@H]([C@H](CCCCn1cc(C(O)=O)c(=O)[nH]1)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H28N2O5/c1-2-20(16-6-10-18(27)11-7-16)21(17-8-12-19(28)13-9-17)5-3-4-14-26-15-22(24(30)31)23(29)25-26/h6-13,15,20-21,27-28H,2-5,14H2,1H3,(H,25,29)(H,30,31)/t20-,21+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for rat estrogen receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50118996
PNG
((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-[3-(...)
Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(OCCN2CCCCC2)c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H29NO4/c34-24-14-15-28-29(21-24)37-32(30(28)27-13-7-9-22-8-2-3-12-26(22)27)31(35)23-10-6-11-25(20-23)36-19-18-33-16-4-1-5-17-33/h2-3,6-15,20-21,34H,1,4-5,16-19H2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50419933
PNG
(CHEMBL1957040)
Show SMILES Oc1ccc(cc1)C1COc2ccccc2C1
Show InChI InChI=1S/C15H14O2/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-8,13,16H,9-10H2
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Article
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n/an/a 7.59E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
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