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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'thompson' and Initial = 'dd'   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5|
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25|
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120505
PNG
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25|
Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120503
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)
Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
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


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181274
PNG
(5-(3-((S)-2-((R)-4-(3-chlorophenyl)-3-hydroxybutyl...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4S/c23-16-4-1-3-15(13-16)14-18(25)8-6-17-7-11-21(26)24(17)12-2-5-19-9-10-20(29-19)22(27)28/h1,3-4,9-10,13,17-18,25H,2,5-8,11-12,14H2,(H,27,28)/t17-,18+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/a 1.12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.059
BindingDB Entry DOI: 10.7270/Q2PR7W18
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50175413
PNG
(4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)pheno...)
Show SMILES Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
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
Estradiol receptor beta (ERβ)


(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
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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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
Inhibition of rat EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.059
BindingDB Entry DOI: 10.7270/Q2PR7W18
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
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
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


(Homo sapiens (Human))
BDBM50175413
PNG
(4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)pheno...)
Show SMILES Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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n/an/a 8.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50175412
PNG
(4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol | CHEM...)
Show SMILES Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H15NO2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)21-20(19)14-7-11-16(23)12-8-14/h1-12,21-23H
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n/an/a 11.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
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
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50175417
PNG
(4-(2-(3-methylisoxazol-4-yl)-1H-benzo[d]imidazol-1...)
Show SMILES Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C17H13N3O2/c1-11-14(10-22-19-11)17-18-15-4-2-3-5-16(15)20(17)12-6-8-13(21)9-7-12/h2-10,21H,1H3
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n/an/a 14.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50175415
PNG
(4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)p...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
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n/an/a 15.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181289
PNG
(5-(3-((S)-2-(4-(3-fluorophenyl)-3-hydroxybutyl)-5-...)
Show SMILES OC(CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(F)c1
Show InChI InChI=1S/C22H26FNO4S/c23-16-4-1-3-15(13-16)14-18(25)8-6-17-7-11-21(26)24(17)12-2-5-19-9-10-20(29-19)22(27)28/h1,3-4,9-10,13,17-18,25H,2,5-8,11-12,14H2,(H,27,28)/t17-,18?/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181296
PNG
(5-(3-((S)-2-(3-hydroxy-4-phenylbutyl)-5-oxopyrroli...)
Show SMILES OC(CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H27NO4S/c24-18(15-16-5-2-1-3-6-16)10-8-17-9-13-21(25)23(17)14-4-7-19-11-12-20(28-19)22(26)27/h1-3,5-6,11-12,17-18,24H,4,7-10,13-15H2,(H,26,27)/t17-,18?/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50142488
PNG
(7-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO4/c23-22(24,25)17-7-5-6-16(14-17)15-19(27)11-9-18-10-12-20(28)26(18)13-4-2-1-3-8-21(29)30/h5-7,14,18-19,27H,1-4,8-13,15H2,(H,29,30)/t18-,19+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181279
PNG
(7-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxopyrr...)
Show SMILES OC(CCC1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C21H30ClNO4/c22-17-7-5-6-16(14-17)15-19(24)11-9-18-10-12-20(25)23(18)13-4-2-1-3-8-21(26)27/h5-7,14,18-19,24H,1-4,8-13,15H2,(H,26,27)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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


(Homo sapiens (Human))
BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
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
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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
Estradiol receptor beta (ERβ)


(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
Estrogen receptor


(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 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 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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50175410
PNG
(4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol...)
Show SMILES Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
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n/an/a 28.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells


Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
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