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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'day' and Initial = 'rf'   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218166
PNG
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218173
PNG
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218170
PNG
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218180
PNG
((R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamin...)
Show SMILES CCc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O2S/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218168
PNG
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)
Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218167
PNG
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)
Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218177
PNG
((R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenox...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1coc(COCc2ccccc2)n1)c1cccnc1
Show InChI InChI=1S/C26H27N3O4/c30-25(22-7-4-12-27-15-22)16-28-13-14-32-23-10-8-21(9-11-23)24-18-33-26(29-24)19-31-17-20-5-2-1-3-6-20/h1-12,15,18,25,28,30H,13-14,16-17,19H2/t25-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218176
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thia...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccncc1)c1cccnc1
Show InChI InChI=1S/C23H22N4O2S/c28-22(19-2-1-9-25-14-19)15-26-12-13-29-20-5-3-17(4-6-20)21-16-30-23(27-21)18-7-10-24-11-8-18/h1-11,14,16,22,26,28H,12-13,15H2/t22-/m0/s1
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97n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218182
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)t...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C19H18F3N3O2S/c20-19(21,22)18-25-16(12-28-18)13-3-5-15(6-4-13)27-9-8-24-11-17(26)14-2-1-7-23-10-14/h1-7,10,12,17,24,26H,8-9,11H2/t17-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218185
PNG
((1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thi...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H22N4O2S/c28-22(18-3-1-9-24-13-18)15-26-11-12-29-20-7-5-17(6-8-20)21-16-30-23(27-21)19-4-2-10-25-14-19/h1-10,13-14,16,22,26,28H,11-12,15H2/t22-/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218172
PNG
((R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)eth...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C1CCCC1)c1cccnc1
Show InChI InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218181
PNG
((R)-2-(2-(4-(5-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1
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170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218166
PNG
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218171
PNG
((R)-2-(2-(4-(2-(methoxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES COCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1
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210n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218170
PNG
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1
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270n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218167
PNG
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)
Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218168
PNG
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)
Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218173
PNG
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218179
PNG
((R)-2-(2-(4-(2,5-dimethyloxazol-4-yl)phenoxy)ethyl...)
Show SMILES Cc1nc(c(C)o1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-14-20(23-15(2)26-14)16-5-7-18(8-6-16)25-11-10-22-13-19(24)17-4-3-9-21-12-17/h3-9,12,19,22,24H,10-11,13H2,1-2H3/t19-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146201
PNG
(6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...)
Show SMILES Oc1ccc2C(C(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
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146201
PNG
(6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...)
Show SMILES Oc1ccc2C(C(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
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146206
PNG
(2-Benzyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1...)
Show SMILES Oc1ccc2C(N(Cc3ccccc3)CCc2c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H32N2O2/c31-25-10-13-27-24(20-25)14-17-30(21-22-6-2-1-3-7-22)28(27)23-8-11-26(12-9-23)32-19-18-29-15-4-5-16-29/h1-3,6-13,20,28,31H,4-5,14-19,21H2
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146200
PNG
((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1
Show InChI InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146223
PNG
(2-Benzenesulfonyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-...)
Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N2O4S/c30-23-10-13-26-22(20-23)14-17-29(34(31,32)25-6-2-1-3-7-25)27(26)21-8-11-24(12-9-21)33-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146216
PNG
(2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl...)
Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C31H32N2O4S/c34-26-12-15-29-25(22-26)16-19-33(38(35,36)30-9-5-7-23-6-1-2-8-28(23)30)31(29)24-10-13-27(14-11-24)37-21-20-32-17-3-4-18-32/h1-2,5-15,22,31,34H,3-4,16-21H2
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n/an/a 5.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146200
PNG
((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1
Show InChI InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+
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n/an/a 5.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146222
PNG
(1-Benzyl-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6...)
Show SMILES Oc1ccc2C(Cc3ccccc3)N(CCc2c1)c1ccccc1
Show InChI InChI=1S/C22H21NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h1-12,16,22,24H,13-15H2
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146199
PNG
((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C26H26N2O2/c1-27(2)25(30)15-10-19-8-11-22(12-9-19)28-17-16-21-18-23(29)13-14-24(21)26(28)20-6-4-3-5-7-20/h3-15,18,26,29H,16-17H2,1-2H3/b15-10+
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146199
PNG
((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C26H26N2O2/c1-27(2)25(30)15-10-19-8-11-22(12-9-19)28-17-16-21-18-23(29)13-14-24(21)26(28)20-6-4-3-5-7-20/h3-15,18,26,29H,16-17H2,1-2H3/b15-10+
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n/an/a 8.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146220
PNG
(2,2,2-Trifluoro-1-[(R)-6-hydroxy-1-(4-hydroxy-phen...)
Show SMILES Oc1ccc(cc1)[C@H]1N(CCc2cc(O)ccc12)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c18-17(19,20)16(24)21-8-7-11-9-13(23)5-6-14(11)15(21)10-1-3-12(22)4-2-10/h1-6,9,15,22-23H,7-8H2/t15-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146205
PNG
(2-Benzo[1,3]dioxol-5-ylmethyl-1-[4-(2-pyrrolidin-1...)
Show SMILES Oc1ccc2C(N(Cc3ccc4OCOc4c3)CCc2c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C29H32N2O4/c32-24-6-9-26-23(18-24)11-14-31(19-21-3-10-27-28(17-21)35-20-34-27)29(26)22-4-7-25(8-5-22)33-16-15-30-12-1-2-13-30/h3-10,17-18,29,32H,1-2,11-16,19-20H2
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n/an/a 9.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146207
PNG
(4-(4-Hydroxy-phenyl)-2-(naphthalene-1-sulfonyl)-1,...)
Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H21NO4S/c27-20-10-8-18(9-11-20)24-16-26(15-19-14-21(28)12-13-22(19)24)31(29,30)25-7-3-5-17-4-1-2-6-23(17)25/h1-14,24,27-28H,15-16H2
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146211
PNG
(2,2,2-Trifluoro-1-[7-hydroxy-4-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c18-17(19,20)16(24)21-8-11-7-13(23)5-6-14(11)15(9-21)10-1-3-12(22)4-2-10/h1-7,15,22-23H,8-9H2
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20585
PNG
(2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146198
PNG
(2-Benzyl-4-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-i...)
Show SMILES Oc1ccc(cc1)C1CN(Cc2ccccc2)Cc2cc(O)ccc12
Show InChI InChI=1S/C22H21NO2/c24-19-8-6-17(7-9-19)22-15-23(13-16-4-2-1-3-5-16)14-18-12-20(25)10-11-21(18)22/h1-12,22,24-25H,13-15H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146223
PNG
(2-Benzenesulfonyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-...)
Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N2O4S/c30-23-10-13-26-22(20-23)14-17-29(34(31,32)25-6-2-1-3-7-25)27(26)21-8-11-24(12-9-21)33-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146198
PNG
(2-Benzyl-4-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-i...)
Show SMILES Oc1ccc(cc1)C1CN(Cc2ccccc2)Cc2cc(O)ccc12
Show InChI InChI=1S/C22H21NO2/c24-19-8-6-17(7-9-19)22-15-23(13-16-4-2-1-3-5-16)14-18-12-20(25)10-11-21(18)22/h1-12,22,24-25H,13-15H2
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146216
PNG
(2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl...)
Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C31H32N2O4S/c34-26-12-15-29-25(22-26)16-19-33(38(35,36)30-9-5-7-23-6-1-2-8-28(23)30)31(29)24-10-13-27(14-11-24)37-21-20-32-17-3-4-18-32/h1-2,5-15,22,31,34H,3-4,16-21H2
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM20585
PNG
(2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146204
PNG
(1-[1-(4-Bromo-phenyl)-6-hydroxy-3,4-dihydro-1H-iso...)
Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrF3NO2/c18-12-3-1-10(2-4-12)15-14-6-5-13(23)9-11(14)7-8-22(15)16(24)17(19,20)21/h1-6,9,15,23H,7-8H2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146208
PNG
(1-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-2-(toluene...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H32N2O4S/c1-21-4-11-26(12-5-21)35(32,33)30-17-14-23-20-24(31)8-13-27(23)28(30)22-6-9-25(10-7-22)34-19-18-29-15-2-3-16-29/h4-13,20,28,31H,2-3,14-19H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146221
PNG
(2-Phenyl-1-thiophen-2-yl-1,2,3,4-tetrahydro-isoqui...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C19H17NOS/c21-16-8-9-17-14(13-16)10-11-20(15-5-2-1-3-6-15)19(17)18-7-4-12-22-18/h1-9,12-13,19,21H,10-11H2
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146215
PNG
(2,2,2-Trifluoro-1-(6-hydroxy-1-phenyl-3,4-dihydro-...)
Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H14F3NO2/c18-17(19,20)16(23)21-9-8-12-10-13(22)6-7-14(12)15(21)11-4-2-1-3-5-11/h1-7,10,15,22H,8-9H2
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n/an/a 27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50146213
PNG
(CHEMBL93207 | [7-Hydroxy-4-(4-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C22H19NO3/c24-18-8-6-15(7-9-18)21-14-23(22(26)16-4-2-1-3-5-16)13-17-12-19(25)10-11-20(17)21/h1-12,21,24-25H,13-14H2
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair
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