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Compile Data Set for Download or QSAR

Found 963 hits with Last Name = 'turnbull' and Initial = 'p'   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121622
PNG
(4-[2-(4-(4-Benzyl-piperazin-1-yl)-6-{[3-(4-chloro-...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H38ClN7O/c1-38(19-5-8-25-9-13-28(33)14-10-25)31-35-30(34-18-17-26-11-15-29(41)16-12-26)36-32(37-31)40-22-20-39(21-23-40)24-27-6-3-2-4-7-27/h2-4,6-7,9-16,41H,5,8,17-24H2,1H3,(H,34,35,36,37)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121589
PNG
(4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C27H36ClN7O2/c1-33(14-2-3-21-4-8-23(28)9-5-21)26-30-25(29-13-12-22-6-10-24(37)11-7-22)31-27(32-26)35-17-15-34(16-18-35)19-20-36/h4-11,36-37H,2-3,12-20H2,1H3,(H,29,30,31,32)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121608
PNG
(4-[2-(4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H32ClN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121602
PNG
(4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121598
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H34ClN7O/c1-32-16-18-34(19-17-32)26-30-24(28-14-13-21-7-11-23(35)12-8-21)29-25(31-26)33(2)15-3-4-20-5-9-22(27)10-6-20/h5-12,35H,3-4,13-19H2,1-2H3,(H,28,29,30,31)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121626
PNG
(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Show SMILES Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H29ClN6OS/c25-20-7-3-18(4-8-20)2-1-17-33-24-29-22(27-12-11-19-5-9-21(32)10-6-19)28-23(30-24)31-15-13-26-14-16-31/h3-10,26,32H,1-2,11-17H2,(H,27,28,29,30)
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121590
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c1-19-17-35(18-20(2)30-19)27-32-25(29-15-14-22-8-12-24(36)13-9-22)31-26(33-27)34(3)16-4-5-21-6-10-23(28)11-7-21/h6-13,19-20,30,36H,4-5,14-18H2,1-3H3,(H,29,31,32,33)/t19-,20+
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121584
PNG
(4-[2-(4-{[3-(3,4-Difluoro-phenyl)-propyl]-methyl-a...)
Show SMILES CN(CCCc1ccc(F)c(F)c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H31F2N7O/c1-33(14-2-3-19-6-9-21(26)22(27)17-19)24-30-23(29-11-10-18-4-7-20(35)8-5-18)31-25(32-24)34-15-12-28-13-16-34/h4-9,17,28,35H,2-3,10-16H2,1H3,(H,29,30,31,32)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121604
PNG
(4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2csc(C)n2)CC1
Show InChI InChI=1S/C30H37ClN8OS/c1-22-33-26(21-41-22)20-38-16-18-39(19-17-38)30-35-28(32-14-13-24-7-11-27(40)12-8-24)34-29(36-30)37(2)15-3-4-23-5-9-25(31)10-6-23/h5-12,21,40H,3-4,13-20H2,1-2H3,(H,32,34,35,36)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121601
PNG
(4-[2-(4-{[3-(2,4-Dichloro-phenyl)-propyl]-methyl-a...)
Show SMILES CN(CCCc1ccc(Cl)cc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H31Cl2N7O/c1-33(14-2-3-19-6-7-20(26)17-22(19)27)24-30-23(29-11-10-18-4-8-21(35)9-5-18)31-25(32-24)34-15-12-28-13-16-34/h4-9,17,28,35H,2-3,10-16H2,1H3,(H,29,30,31,32)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121603
PNG
(4-(2-{4-[(3-Benzo[1,3]dioxol-5-yl-propyl)-methyl-a...)
Show SMILES CN(CCCc1ccc2OCOc2c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H33N7O3/c1-32(14-2-3-20-6-9-22-23(17-20)36-18-35-22)25-29-24(28-11-10-19-4-7-21(34)8-5-19)30-26(31-25)33-15-12-27-13-16-33/h4-9,17,27,34H,2-3,10-16,18H2,1H3,(H,28,29,30,31)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121634
PNG
(4-[2-(4-(4-Allyl-piperazin-1-yl)-6-{[3-(4-chloro-p...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C28H36ClN7O/c1-3-16-35-18-20-36(21-19-35)28-32-26(30-15-14-23-8-12-25(37)13-9-23)31-27(33-28)34(2)17-4-5-22-6-10-24(29)11-7-22/h3,6-13,37H,1,4-5,14-21H2,2H3,(H,30,31,32,33)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121600
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C31H37ClN8O/c1-38(17-3-5-24-6-10-27(32)11-7-24)30-35-29(34-16-14-25-8-12-28(41)13-9-25)36-31(37-30)40-20-18-39(19-21-40)23-26-4-2-15-33-22-26/h2,4,6-13,15,22,41H,3,5,14,16-21,23H2,1H3,(H,34,35,36,37)
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35n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121636
PNG
(1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CCC(=O)CCN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H40ClN7O2/c1-3-26(39)15-18-37-19-21-38(22-20-37)30-34-28(32-16-14-24-8-12-27(40)13-9-24)33-29(35-30)36(2)17-4-5-23-6-10-25(31)11-7-23/h6-13,40H,3-5,14-22H2,1-2H3,(H,32,33,34,35)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121587
PNG
(CHEMBL153395 | cis-4-(2-{4-[Methyl-(2-phenyl-cyclo...)
Show SMILES CN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H33N7O/c1-32(18-21-17-23(21)20-5-3-2-4-6-20)25-29-24(28-12-11-19-7-9-22(34)10-8-19)30-26(31-25)33-15-13-27-14-16-33/h2-10,21,23,27,34H,11-18H2,1H3,(H,28,29,30,31)/t21-,23+/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121625
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C30H40ClN7O/c1-36(18-4-5-23-8-12-25(31)13-9-23)29-33-28(32-17-16-24-10-14-27(39)15-11-24)34-30(35-29)38-21-19-37(20-22-38)26-6-2-3-7-26/h8-15,26,39H,2-7,16-22H2,1H3,(H,32,33,34,35)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121633
PNG
(4-[2-(4-{[3-(2-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccccc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H32ClN7O/c1-32(16-4-6-20-5-2-3-7-22(20)26)24-29-23(28-13-12-19-8-10-21(34)11-9-19)30-25(31-24)33-17-14-27-15-18-33/h2-3,5,7-11,27,34H,4,6,12-18H2,1H3,(H,28,29,30,31)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121588
PNG
(4-{2-[4-(4-Methyl-piperazin-1-yl)-6-(3-phenyl-prop...)
Show SMILES CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(SCCCc2ccccc2)n1
Show InChI InChI=1S/C25H32N6OS/c1-30-15-17-31(18-16-30)24-27-23(26-14-13-21-9-11-22(32)12-10-21)28-25(29-24)33-19-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,32H,5,8,13-19H2,1H3,(H,26,27,28,29)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121593
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccccn2)CC1
Show InChI InChI=1S/C31H37ClN8O/c1-38(18-4-5-24-7-11-26(32)12-8-24)30-35-29(34-17-15-25-9-13-28(41)14-10-25)36-31(37-30)40-21-19-39(20-22-40)23-27-6-2-3-16-33-27/h2-3,6-14,16,41H,4-5,15,17-23H2,1H3,(H,34,35,36,37)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121596
PNG
(4-(2-{4-[3-(4-Chloro-phenyl)-propylamino]-6-pipera...)
Show SMILES Oc1ccc(CCNc2nc(NCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H30ClN7O/c25-20-7-3-18(4-8-20)2-1-12-27-22-29-23(28-13-11-19-5-9-21(33)10-6-19)31-24(30-22)32-16-14-26-15-17-32/h3-10,26,33H,1-2,11-17H2,(H2,27,28,29,30,31)
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121590
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c1-19-17-35(18-20(2)30-19)27-32-25(29-15-14-22-8-12-24(36)13-9-22)31-26(33-27)34(3)16-4-5-21-6-10-23(28)11-7-21/h6-13,19-20,30,36H,4-5,14-18H2,1-3H3,(H,29,31,32,33)/t19-,20+
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60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121594
PNG
(4-[2-(4-{Methyl-[3-(4-trifluoromethyl-phenyl)-prop...)
Show SMILES CN(CCCc1ccc(cc1)C(F)(F)F)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H32F3N7O/c1-35(16-2-3-19-4-8-21(9-5-19)26(27,28)29)24-32-23(31-13-12-20-6-10-22(37)11-7-20)33-25(34-24)36-17-14-30-15-18-36/h4-11,30,37H,2-3,12-18H2,1H3,(H,31,32,33,34)
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75n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121620
PNG
(4-[3-({4-[2-(4-Hydroxy-phenyl)-ethylamino]-6-piper...)
Show SMILES CN(CCCc1ccc(cc1)C#N)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H32N8O/c1-33(16-2-3-20-4-6-22(19-27)7-5-20)25-30-24(29-13-12-21-8-10-23(35)11-9-21)31-26(32-25)34-17-14-28-15-18-34/h4-11,28,35H,2-3,12-18H2,1H3,(H,29,30,31,32)
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90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121607
PNG
(4-(2-{4-[2-(4-Chloro-phenoxy)-ethylsulfanyl]-6-pip...)
Show SMILES Oc1ccc(CCNc2nc(SCCOc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C23H27ClN6O2S/c24-18-3-7-20(8-4-18)32-15-16-33-23-28-21(26-10-9-17-1-5-19(31)6-2-17)27-22(29-23)30-13-11-25-12-14-30/h1-8,25,31H,9-16H2,(H,26,27,28,29)
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90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121632
PNG
(1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C33H38ClN7O3/c1-39(19-5-6-25-9-13-27(34)14-10-25)32-36-31(35-18-17-26-11-15-28(42)16-12-26)37-33(38-32)41-22-20-40(21-23-41)30(43)24-44-29-7-3-2-4-8-29/h2-4,7-16,42H,5-6,17-24H2,1H3,(H,35,36,37,38)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121613
PNG
(4-(2-{4-[Methyl-(3-p-tolyl-propyl)-amino]-6-pipera...)
Show SMILES CN(CCCc1ccc(C)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H35N7O/c1-20-5-7-21(8-6-20)4-3-17-32(2)25-29-24(28-14-13-22-9-11-23(34)12-10-22)30-26(31-25)33-18-15-27-16-19-33/h5-12,27,34H,3-4,13-19H2,1-2H3,(H,28,29,30,31)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121624
PNG
(4-[2-(4-{[3-(4-Chloro-phenyl)-propyl]-ethyl-amino}...)
Show SMILES CCN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H34ClN7O/c1-2-33(17-3-4-20-5-9-22(27)10-6-20)25-30-24(29-14-13-21-7-11-23(35)12-8-21)31-26(32-25)34-18-15-28-16-19-34/h5-12,28,35H,2-4,13-19H2,1H3,(H,29,30,31,32)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121609
PNG
((4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C33H38ClN7O3/c1-39(19-3-4-24-5-11-27(34)12-6-24)32-36-31(35-18-17-25-7-13-28(42)14-8-25)37-33(38-32)41-22-20-40(21-23-41)30(43)26-9-15-29(44-2)16-10-26/h5-16,42H,3-4,17-23H2,1-2H3,(H,35,36,37,38)
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110n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121614
PNG
(1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C34H40ClN7O2/c1-40(21-5-8-27-9-14-29(35)15-10-27)33-37-32(36-20-19-28-11-16-30(43)17-12-28)38-34(39-33)42-24-22-41(23-25-42)31(44)18-13-26-6-3-2-4-7-26/h2-4,6-7,9-12,14-17,43H,5,8,13,18-25H2,1H3,(H,36,37,38,39)
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110n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121621
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C31H37ClN8O/c1-38(18-2-3-24-4-8-27(32)9-5-24)30-35-29(34-17-14-25-6-10-28(41)11-7-25)36-31(37-30)40-21-19-39(20-22-40)23-26-12-15-33-16-13-26/h4-13,15-16,41H,2-3,14,17-23H2,1H3,(H,34,35,36,37)
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115n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121622
PNG
(4-[2-(4-(4-Benzyl-piperazin-1-yl)-6-{[3-(4-chloro-...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H38ClN7O/c1-38(19-5-8-25-9-13-28(33)14-10-25)31-35-30(34-18-17-26-11-15-29(41)16-12-26)36-32(37-31)40-22-20-39(21-23-40)24-27-6-3-2-4-7-27/h2-4,6-7,9-16,41H,5,8,17-24H2,1H3,(H,34,35,36,37)
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120n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121601
PNG
(4-[2-(4-{[3-(2,4-Dichloro-phenyl)-propyl]-methyl-a...)
Show SMILES CN(CCCc1ccc(Cl)cc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H31Cl2N7O/c1-33(14-2-3-19-6-7-20(26)17-22(19)27)24-30-23(29-11-10-18-4-8-21(35)9-5-18)31-25(32-24)34-15-12-28-13-16-34/h4-9,17,28,35H,2-3,10-16H2,1H3,(H,29,30,31,32)
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125n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121598
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H34ClN7O/c1-32-16-18-34(19-17-32)26-30-24(28-14-13-21-7-11-23(35)12-8-21)29-25(31-26)33(2)15-3-4-20-5-9-22(27)10-6-20/h5-12,35H,3-4,13-19H2,1-2H3,(H,28,29,30,31)
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145n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121626
PNG
(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Show SMILES Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H29ClN6OS/c25-20-7-3-18(4-8-20)2-1-17-33-24-29-22(27-12-11-19-5-9-21(32)10-6-19)28-23(30-24)31-15-13-26-14-16-31/h3-10,26,32H,1-2,11-17H2,(H,27,28,29,30)
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160n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121610
PNG
(4-[2-(4-{[2-(4-Chloro-phenoxy)-ethyl]-methyl-amino...)
Show SMILES CN(CCOc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C24H30ClN7O2/c1-31(16-17-34-21-8-4-19(25)5-9-21)23-28-22(27-11-10-18-2-6-20(33)7-3-18)29-24(30-23)32-14-12-26-13-15-32/h2-9,26,33H,10-17H2,1H3,(H,27,28,29,30)
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170n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121586
PNG
(6-[4-(4-Methyl-piperazin-1-yl)-6-(3-phenyl-propyla...)
Show SMILES CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(NC2CCc3cc(O)ccc3C2)n1
Show InChI InChI=1S/C27H35N7O/c1-33-14-16-34(17-15-33)27-31-25(28-13-5-8-20-6-3-2-4-7-20)30-26(32-27)29-23-11-9-22-19-24(35)12-10-21(22)18-23/h2-4,6-7,10,12,19,23,35H,5,8-9,11,13-18H2,1H3,(H2,28,29,30,31,32)
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170n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121625
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C30H40ClN7O/c1-36(18-4-5-23-8-12-25(31)13-9-23)29-33-28(32-17-16-24-10-14-27(39)15-11-24)34-30(35-29)38-21-19-37(20-22-38)26-6-2-3-7-26/h8-15,26,39H,2-7,16-22H2,1H3,(H,32,33,34,35)
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180n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121596
PNG
(4-(2-{4-[3-(4-Chloro-phenyl)-propylamino]-6-pipera...)
Show SMILES Oc1ccc(CCNc2nc(NCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H30ClN7O/c25-20-7-3-18(4-8-20)2-1-12-27-22-29-23(28-13-11-19-5-9-21(33)10-6-19)31-24(30-22)32-16-14-26-15-17-32/h3-10,26,33H,1-2,11-17H2,(H2,27,28,29,30,31)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121595
PNG
(2-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C33H38ClN7O2/c1-39(19-5-6-25-9-13-28(34)14-10-25)32-36-31(35-18-17-26-11-15-29(42)16-12-26)37-33(38-32)41-22-20-40(21-23-41)24-30(43)27-7-3-2-4-8-27/h2-4,7-16,42H,5-6,17-24H2,1H3,(H,35,36,37,38)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121584
PNG
(4-[2-(4-{[3-(3,4-Difluoro-phenyl)-propyl]-methyl-a...)
Show SMILES CN(CCCc1ccc(F)c(F)c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H31F2N7O/c1-33(14-2-3-19-6-9-21(26)22(27)17-19)24-30-23(29-11-10-18-4-7-20(35)8-5-18)31-25(32-24)34-15-12-28-13-16-34/h4-9,17,28,35H,2-3,10-16H2,1H3,(H,29,30,31,32)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121606
PNG
(4-{2-[4-(3-Phenyl-propylamino)-6-piperazin-1-yl-[1...)
Show SMILES Oc1ccc(CCNc2nc(NCCCc3ccccc3)nc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C24H31N7O/c32-21-10-8-20(9-11-21)12-14-27-23-28-22(26-13-4-7-19-5-2-1-3-6-19)29-24(30-23)31-17-15-25-16-18-31/h1-3,5-6,8-11,25,32H,4,7,12-18H2,(H2,26,27,28,29,30)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121617
PNG
(1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C31H42ClN7O2/c1-31(2,3)27(41)22-38-18-20-39(21-19-38)30-35-28(33-16-15-24-9-13-26(40)14-10-24)34-29(36-30)37(4)17-5-6-23-7-11-25(32)12-8-23/h7-14,40H,5-6,15-22H2,1-4H3,(H,33,34,35,36)
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210n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121635
PNG
(4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C33H38ClN7O3S/c1-39(20-5-8-27-9-13-29(34)14-10-27)32-36-31(35-19-17-28-11-15-30(42)16-12-28)37-33(38-32)40-21-23-41(24-22-40)45(43,44)25-18-26-6-3-2-4-7-26/h2-4,6-7,9-16,18,25,42H,5,8,17,19-24H2,1H3,(H,35,36,37,38)/b25-18+
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225n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121636
PNG
(1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CCC(=O)CCN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H40ClN7O2/c1-3-26(39)15-18-37-19-21-38(22-20-37)30-34-28(32-16-14-24-8-12-27(40)13-9-24)33-29(35-30)36(2)17-4-5-23-6-10-25(31)11-7-23/h6-13,40H,3-5,14-22H2,1-2H3,(H,32,33,34,35)
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250n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121615
PNG
(2-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN8O2/c1-35(2)26(40)21-37-17-19-38(20-18-37)29-33-27(31-15-14-23-8-12-25(39)13-9-23)32-28(34-29)36(3)16-4-5-22-6-10-24(30)11-7-22/h6-13,39H,4-5,14-21H2,1-3H3,(H,31,32,33,34)
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270n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121588
PNG
(4-{2-[4-(4-Methyl-piperazin-1-yl)-6-(3-phenyl-prop...)
Show SMILES CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(SCCCc2ccccc2)n1
Show InChI InChI=1S/C25H32N6OS/c1-30-15-17-31(18-16-30)24-27-23(26-14-13-21-9-11-22(32)12-10-21)28-25(29-24)33-19-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,32H,5,8,13-19H2,1H3,(H,26,27,28,29)
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270n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121608
PNG
(4-[2-(4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H32ClN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)
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300n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121634
PNG
(4-[2-(4-(4-Allyl-piperazin-1-yl)-6-{[3-(4-chloro-p...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C28H36ClN7O/c1-3-16-35-18-20-36(21-19-35)28-32-26(30-15-14-23-8-12-25(37)13-9-23)31-27(33-28)34(2)17-4-5-22-6-10-24(29)11-7-22/h3,6-13,37H,1,4-5,14-21H2,2H3,(H,30,31,32,33)
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360n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121602
PNG
(4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)
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380n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121589
PNG
(4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C27H36ClN7O2/c1-33(14-2-3-21-4-8-23(28)9-5-21)26-30-25(29-13-12-22-6-10-24(37)11-7-22)31-27(32-26)35-17-15-34(16-18-35)19-20-36/h4-11,36-37H,2-3,12-20H2,1H3,(H,29,30,31,32)
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395n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
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