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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'pan' and Initial = 'lc'   
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)
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
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
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
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))
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))
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
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))
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
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
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))
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50146202
PNG
(2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-...)
Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)22(30)28-12-9-17-15-18(29)5-8-20(17)21(28)16-3-6-19(7-4-16)31-14-13-27-10-1-2-11-27/h3-8,15,21,29H,1-2,9-14H2
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n/an/a 29n/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))
BDBM50146226
PNG
(2-(4-Propyl-benzenesulfonyl)-1-[4-(2-pyrrolidin-1-...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C30H36N2O4S/c1-2-5-23-6-13-28(14-7-23)37(34,35)32-19-16-25-22-26(33)10-15-29(25)30(32)24-8-11-27(12-9-24)36-21-20-31-17-3-4-18-31/h6-15,22,30,33H,2-5,16-21H2,1H3
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n/an/a 29n/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))
BDBM50146209
PNG
(1-Cyclohexyl-2-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES Oc1ccc2C(C3CCCCC3)N(CCc2c1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2
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n/an/a 30n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | N-methyl-N-(2-((2-(2...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PYK2


Proc Natl Acad Sci USA 104: 10619-24 (2007)


Article DOI: 10.1073/pnas.0701421104
BindingDB Entry DOI: 10.7270/Q29887WR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50146224
PNG
(1,2-Diphenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol |...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2
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n/an/a 31n/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))
BDBM50146225
PNG
(2-Benzenesulfonyl-4-(4-hydroxy-phenyl)-1,2,3,4-tet...)
Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c23-17-8-6-15(7-9-17)21-14-22(13-16-12-18(24)10-11-20(16)21)27(25,26)19-4-2-1-3-5-19/h1-12,21,23-24H,13-14H2
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n/an/a 42n/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))
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 42n/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))
BDBM50146212
PNG
(1-Isopropyl-2-phenyl-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES CC(C)C1N(CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C18H21NO/c1-13(2)18-17-9-8-16(20)12-14(17)10-11-19(18)15-6-4-3-5-7-15/h3-9,12-13,18,20H,10-11H2,1-2H3
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n/an/a 43n/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))
BDBM50146219
PNG
(6-Hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-...)
Show SMILES CCOC(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C24H30N2O4/c1-2-29-24(28)26-14-11-19-17-20(27)7-10-22(19)23(26)18-5-8-21(9-6-18)30-16-15-25-12-3-4-13-25/h5-10,17,23,27H,2-4,11-16H2,1H3
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n/an/a 44n/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))
BDBM50146224
PNG
(1,2-Diphenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol |...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2
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n/an/a 49n/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))
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 50n/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))
BDBM50146218
PNG
(1-Cyclohexylmethyl-2-phenyl-1,2,3,4-tetrahydro-iso...)
Show SMILES Oc1ccc2C(CC3CCCCC3)N(CCc2c1)c1ccccc1
Show InChI InChI=1S/C22H27NO/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/h2,5-6,9-12,16-17,22,24H,1,3-4,7-8,13-15H2
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n/an/a 53n/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))
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 54n/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))
BDBM50146214
PNG
(2,2,2-Trifluoro-1-(6-hydroxy-1-thiophen-2-yl-3,4-d...)
Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)14(21)19-6-5-9-8-10(20)3-4-11(9)13(19)12-2-1-7-22-12/h1-4,7-8,13,20H,5-6H2
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n/an/a 64n/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))
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 66n/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))
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 71n/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))
BDBM50146202
PNG
(2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-...)
Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)22(30)28-12-9-17-15-18(29)5-8-20(17)21(28)16-3-6-19(7-4-16)31-14-13-27-10-1-2-11-27/h3-8,15,21,29H,1-2,9-14H2
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n/an/a 93n/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))
BDBM50146209
PNG
(1-Cyclohexyl-2-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES Oc1ccc2C(C3CCCCC3)N(CCc2c1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2
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n/an/a 99n/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))
BDBM50146217
PNG
(2-(Naphthalene-2-sulfonyl)-1-[4-(2-pyrrolidin-1-yl...)
Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C31H32N2O4S/c34-27-10-14-30-26(21-27)15-18-33(38(35,36)29-13-9-23-5-1-2-6-25(23)22-29)31(30)24-7-11-28(12-8-24)37-20-19-32-16-3-4-17-32/h1-2,5-14,21-22,31,34H,3-4,15-20H2
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n/an/a 112n/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
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