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Patent code US8815934

Compile Data Set for Download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		BDBM129664
PNG
(US8815934, No. 114)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CC4CCC3C4)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H32N2O3/c1-20-28-17-26(34)10-13-29(28)32(30(20)23-5-8-25(33)9-6-23)19-21-3-11-27(12-4-21)35-15-14-31-18-22-2-7-24(31)16-22/h3-6,8-13,17,22,24,33-34H,2,7,14-16,18-19H2,1H3
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n/an/a 1n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129649
PNG
(US8815934, No. 133)
Show SMILES Oc1ccc(cc1)-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27ClN2O3/c28-26-24-17-22(32)9-12-25(24)30(27(26)20-5-7-21(31)8-6-20)18-19-3-10-23(11-4-19)33-16-15-29-13-1-2-14-29/h3-12,17,31-32H,1-2,13-16,18H2
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n/an/a 4n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129645
PNG
(US8815934, No. 129)
Show SMILES Cc1c(-c2ccc(O)c(F)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H31FN2O3/c1-20-25-18-23(33)8-11-27(25)32(29(20)22-7-12-28(34)26(30)17-22)19-21-5-9-24(10-6-21)35-16-15-31-13-3-2-4-14-31/h5-12,17-18,33-34H,2-4,13-16,19H2,1H3
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n/an/a 5.5n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129644
PNG
(US8815934, No. 128)
Show SMILES Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-26(34)11-14-29(28)32(30(22)24-7-6-8-25(33)19-24)21-23-9-12-27(13-10-23)35-18-17-31-15-4-2-3-5-16-31/h6-14,19-20,33-34H,2-5,15-18,21H2,1H3
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n/an/a 9n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129654
PNG
(US8815934, No. 138)
Show SMILES Oc1ccc(cc1)-c1c(C#N)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29N3O3/c30-19-27-26-18-24(34)10-13-28(26)32(29(27)22-6-8-23(33)9-7-22)20-21-4-11-25(12-5-21)35-17-16-31-14-2-1-3-15-31/h4-13,18,33-34H,1-3,14-17,20H2
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n/an/a 11n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129646
PNG
(US8815934, No. 130)
Show SMILES Cc1c(-c2ccc(O)c(F)c2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H33FN2O3/c1-21-26-19-24(34)9-12-28(26)33(30(21)23-8-13-29(35)27(31)18-23)20-22-6-10-25(11-7-22)36-17-16-32-14-4-2-3-5-15-32/h6-13,18-19,34-35H,2-5,14-17,20H2,1H3
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n/an/a 13n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129652
PNG
(US8815934, No. 136)
Show SMILES Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1 |(-.32,-3.97,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-4.94,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;1.65,1.41,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;5.77,-8.59,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;4.34,-12.98,;3.87,-14.45,;4.9,-15.59,;6.4,-15.27,;6.88,-13.81,;3.23,-7.77,;2.2,-6.62,)|
Show InChI InChI=1S/C29H31ClN2O3/c1-20-17-22(33)7-11-25(20)29-28(30)26-18-23(34)8-12-27(26)32(29)19-21-5-9-24(10-6-21)35-16-15-31-13-3-2-4-14-31/h5-12,17-18,33-34H,2-4,13-16,19H2,1H3
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n/an/a 13n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129643
PNG
(US8815934, No. 127)
Show SMILES Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)10-13-28(27)31(29(21)23-6-5-7-24(32)18-23)20-22-8-11-26(12-9-22)34-17-16-30-14-3-2-4-15-30/h5-13,18-19,32-33H,2-4,14-17,20H2,1H3
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n/an/a 19n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129631
PNG
(US8815934, No. 108)
Show SMILES CC1CCCCN1CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H34N2O3/c1-21-5-3-4-16-31(21)17-18-35-27-13-6-23(7-14-27)20-32-29-15-12-26(34)19-28(29)22(2)30(32)24-8-10-25(33)11-9-24/h6-15,19,21,33-34H,3-5,16-18,20H2,1-2H3
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n/an/a 20n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129655
PNG
(US8815934, No. 139)
Show SMILES Oc1ccc(cc1)-c1c(C#N)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H31N3O3/c31-20-28-27-19-25(35)11-14-29(27)33(30(28)23-7-9-24(34)10-8-23)21-22-5-12-26(13-6-22)36-18-17-32-15-3-1-2-4-16-32/h5-14,19,34-35H,1-4,15-18,21H2
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n/an/a 23n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129650
PNG
(US8815934, No. 134)
Show SMILES Oc1ccc(cc1)-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29ClN2O3/c29-27-25-18-23(33)10-13-26(25)31(28(27)21-6-8-22(32)9-7-21)19-20-4-11-24(12-5-20)34-17-16-30-14-2-1-3-15-30/h4-13,18,32-33H,1-3,14-17,19H2
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n/an/a 24n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129630
PNG
(US8815934, No. 105)
Show SMILES CCCCN(C)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H34N2O3/c1-4-5-16-30(3)17-18-34-26-13-6-22(7-14-26)20-31-28-15-12-25(33)19-27(28)21(2)29(31)23-8-10-24(32)11-9-23/h6-15,19,32-33H,4-5,16-18,20H2,1-3H3
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n/an/a 28n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129651
PNG
(US8815934, No. 135)
Show SMILES Oc1ccc(cc1)-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-28-26-19-24(34)11-14-27(26)32(29(28)22-7-9-23(33)10-8-22)20-21-5-12-25(13-6-21)35-18-17-31-15-3-1-2-4-16-31/h5-14,19,33-34H,1-4,15-18,20H2
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n/an/a 29n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129618
PNG
(US8815934, No. 87)
Show SMILES Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O2/c1-22-27-20-25(32)12-15-28(27)31(29(22)24-8-4-2-5-9-24)21-23-10-13-26(14-11-23)33-19-18-30-16-6-3-7-17-30/h2,4-5,8-15,20,32H,3,6-7,16-19,21H2,1H3
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n/an/a 30n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129626
PNG
(US8815934, No. 99)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C31H36N2O3/c1-23-29-21-27(35)13-16-30(29)33(31(23)25-9-11-26(34)12-10-25)22-24-7-14-28(15-8-24)36-20-19-32-17-5-3-2-4-6-18-32/h7-16,21,34-35H,2-6,17-20,22H2,1H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129633
PNG
(US8815934, No. 110)
Show SMILES CC1CCN(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)CC1
Show InChI InChI=1S/C30H34N2O3/c1-21-13-15-31(16-14-21)17-18-35-27-10-3-23(4-11-27)20-32-29-12-9-26(34)19-28(29)22(2)30(32)24-5-7-25(33)8-6-24/h3-12,19,21,33-34H,13-18,20H2,1-2H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129637
PNG
(US8815934, No. 116)
Show SMILES Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H31FN2O2/c1-21-27-19-25(33)11-14-28(27)32(29(21)23-7-9-24(30)10-8-23)20-22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,33H,2-4,15-18,20H2,1H3
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n/an/a 40n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129661
PNG
(US8815934, No. 101)
Show SMILES CCN(CC)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-4-29(5-2)16-17-33-25-13-6-21(7-14-25)19-30-27-15-12-24(32)18-26(27)20(3)28(30)22-8-10-23(31)11-9-22/h6-15,18,31-32H,4-5,16-17,19H2,1-3H3
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n/an/a 40n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129635
PNG
(US8815934, No. 113)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCC(O)CC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O4/c1-20-27-18-25(34)8-11-28(27)31(29(20)22-4-6-23(32)7-5-22)19-21-2-9-26(10-3-21)35-17-16-30-14-12-24(33)13-15-30/h2-11,18,24,32-34H,12-17,19H2,1H3
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n/an/a 47n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129648
PNG
(US8815934, No. 132)
Show SMILES Cc1c(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H31F3N2O3/c1-21-27-19-24(36)9-14-28(27)35(29(21)23-7-12-26(13-8-23)38-30(31,32)33)20-22-5-10-25(11-6-22)37-18-17-34-15-3-2-4-16-34/h5-14,19,36H,2-4,15-18,20H2,1H3
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n/an/a 50n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50099585
PNG
(1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
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n/an/a 50n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM129658
PNG
(US8815934, No. 168)
Show SMILES COc1cc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)ccc1OCCN1CCCCCC1
Show InChI InChI=1S/C31H36N2O4/c1-22-27-20-26(35)12-13-28(27)33(31(22)24-8-10-25(34)11-9-24)21-23-7-14-29(30(19-23)36-2)37-18-17-32-15-5-3-4-6-16-32/h7-14,19-20,34-35H,3-6,15-18,21H2,1-2H3
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n/an/a 57n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50099587
PNG
(2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
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n/an/a 60n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50099587
PNG
(2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
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n/an/a 60n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129660
PNG
(US8815934, No. 100)
Show SMILES CN(C)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H28N2O3/c1-18-24-16-22(30)10-13-25(24)28(26(18)20-6-8-21(29)9-7-20)17-19-4-11-23(12-5-19)31-15-14-27(2)3/h4-13,16,29-30H,14-15,17H2,1-3H3
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n/an/a 60n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129623
PNG
(US8815934, No. 92)
Show SMILES CCOc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C31H36N2O3/c1-3-35-27-14-9-25(10-15-27)31-23(2)29-21-26(34)11-16-30(29)33(31)22-24-7-12-28(13-8-24)36-20-19-32-17-5-4-6-18-32/h7-16,21,34H,3-6,17-20,22H2,1-2H3
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n/an/a 62n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129663
PNG
(US8815934, No. 112)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1 |r|
Show InChI InChI=1S/C31H36N2O3/c1-21-5-4-6-22(2)32(21)17-18-36-28-14-7-24(8-15-28)20-33-30-16-13-27(35)19-29(30)23(3)31(33)25-9-11-26(34)12-10-25/h7-16,19,21-22,34-35H,4-6,17-18,20H2,1-3H3/t21-,22+
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n/an/a 70n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM6496
PNG
(US8815934, No. 119)
Show SMILES Cc1c(-c2ccc3OCOc3c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H32N2O4/c1-21-26-18-24(33)8-11-27(26)32(30(21)23-7-12-28-29(17-23)36-20-35-28)19-22-5-9-25(10-6-22)34-16-15-31-13-3-2-4-14-31/h5-12,17-18,33H,2-4,13-16,19-20H2,1H3
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n/an/a 70n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129657
PNG
(US8815934, No. 167)
Show SMILES COc1cc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C30H34N2O4/c1-21-26-19-25(34)11-12-27(26)32(30(21)23-7-9-24(33)10-8-23)20-22-6-13-28(29(18-22)35-2)36-17-16-31-14-4-3-5-15-31/h6-13,18-19,33-34H,3-5,14-17,20H2,1-2H3
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n/an/a 80n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129638
PNG
(US8815934, No. 121)
Show SMILES CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C33H40N2O3/c1-24(2)38-30-15-10-27(11-16-30)33-25(3)31-22-28(36)12-17-32(31)35(33)23-26-8-13-29(14-9-26)37-21-20-34-18-6-4-5-7-19-34/h8-17,22,24,36H,4-7,18-21,23H2,1-3H3
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n/an/a 80n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM6560
PNG
(US8815934, No. 122)
Show SMILES CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OC2C=CC=C2)cc1 |c:31,33|
Show InChI InChI=1S/C30H29NO3/c1-20(2)33-26-15-10-23(11-16-26)30-21(3)28-18-24(32)12-17-29(28)31(30)19-22-8-13-27(14-9-22)34-25-6-4-5-7-25/h4-18,20,25,32H,19H2,1-3H3
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n/an/a 80n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129627
PNG
(US8815934, No. 102)
Show SMILES CCCN(CCC)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H36N2O3/c1-4-16-31(17-5-2)18-19-35-27-13-6-23(7-14-27)21-32-29-15-12-26(34)20-28(29)22(3)30(32)24-8-10-25(33)11-9-24/h6-15,20,33-34H,4-5,16-19,21H2,1-3H3
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n/an/a 80n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129624
PNG
(US8815934, No. 93)
Show SMILES CCOc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C32H38N2O3/c1-3-36-28-15-10-26(11-16-28)32-24(2)30-22-27(35)12-17-31(30)34(32)23-25-8-13-29(14-9-25)37-21-20-33-18-6-4-5-7-19-33/h8-17,22,35H,3-7,18-21,23H2,1-2H3
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n/an/a 90n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129656
PNG
(US8815934, No. 166)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-5-18-31-16-3-2-4-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
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n/an/a 99n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129629
PNG
(US8815934, No. 104)
Show SMILES CC(C)N(CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(C)C
Show InChI InChI=1S/C30H36N2O3/c1-20(2)31(21(3)4)16-17-35-27-13-6-23(7-14-27)19-32-29-15-12-26(34)18-28(29)22(5)30(32)24-8-10-25(33)11-9-24/h6-15,18,20-21,33-34H,16-17,19H2,1-5H3
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n/an/a 100n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129636
PNG
(US8815934, No. 117)
Show SMILES Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H33FN2O2/c1-22-28-20-26(34)12-15-29(28)33(30(22)24-8-10-25(31)11-9-24)21-23-6-13-27(14-7-23)35-19-18-32-16-4-2-3-5-17-32/h6-15,20,34H,2-5,16-19,21H2,1H3
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n/an/a 100n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129666
PNG
(US8815934, No. 120)
Show SMILES CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H38N2O3/c1-23(2)37-29-14-9-26(10-15-29)32-24(3)30-21-27(35)11-16-31(30)34(32)22-25-7-12-28(13-8-25)36-20-19-33-17-5-4-6-18-33/h7-16,21,23,35H,4-6,17-20,22H2,1-3H3
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n/an/a 100n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129662
PNG
(US8815934, No. 106)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCC[N+](C)(C)C)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C27H30N2O3/c1-19-25-17-23(31)11-14-26(25)28(27(19)21-7-9-22(30)10-8-21)18-20-5-12-24(13-6-20)32-16-15-29(2,3)4/h5-14,17H,15-16,18H2,1-4H3,(H-,30,31)/p+1
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n/an/a 100n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129641
PNG
(US8815934, No. 125)
Show SMILES Cc1c(-c2ccc(Cl)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H31ClN2O2/c1-21-27-19-25(33)11-14-28(27)32(29(21)23-7-9-24(30)10-8-23)20-22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,33H,2-4,15-18,20H2,1H3
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n/an/a 110n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129640
PNG
(US8815934, No. 124)
Show SMILES Cc1c(-c2ccc(C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O2/c1-22-6-10-25(11-7-22)30-23(2)28-20-26(33)12-15-29(28)32(30)21-24-8-13-27(14-9-24)34-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19,21H2,1-2H3
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n/an/a 110n/an/an/an/an/a4



Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129617
PNG
(US8815934, No. 86)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C29H32N2O2/c1-22-27-7-3-4-8-28(27)31(29(22)24-11-13-25(32)14-12-24)21-23-9-15-26(16-10-23)33-20-19-30-17-5-2-6-18-30/h3-4,7-16,32H,2,5-6,17-21H2,1H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129647
PNG
(US8815934, No. 131)
Show SMILES COc1cccc(c1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-25(33)11-14-29(28)32(30(22)24-7-6-8-27(19-24)34-2)21-23-9-12-26(13-10-23)35-18-17-31-15-4-3-5-16-31/h6-14,19-20,33H,3-5,15-18,21H2,1-2H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129634
PNG
(US8815934, No. 111)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCC(C)(C)C3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C31H36N2O3/c1-22-28-19-26(35)11-14-29(28)33(30(22)24-7-9-25(34)10-8-24)20-23-5-12-27(13-6-23)36-18-17-32-16-4-15-31(2,3)21-32/h5-14,19,34-35H,4,15-18,20-21H2,1-3H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129653
PNG
(US8815934, No. 137)
Show SMILES CCc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O3/c1-2-27-28-20-25(34)12-15-29(28)32(30(27)23-8-10-24(33)11-9-23)21-22-6-13-26(14-7-22)35-19-18-31-16-4-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129665
PNG
(US8815934, No. 115)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CC4(C)CC3C(C)(C)C4)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C33H38N2O3/c1-22-28-17-26(37)11-14-29(28)35(31(22)24-7-9-25(36)10-8-24)19-23-5-12-27(13-6-23)38-16-15-34-21-33(4)18-30(34)32(2,3)20-33/h5-14,17,30,36-37H,15-16,18-21H2,1-4H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129639
PNG
(US8815934, No. 123)
Show SMILES Cc1c(-c2ccc(cc2)C(F)(F)F)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H31F3N2O2/c1-21-27-19-25(36)11-14-28(27)35(29(21)23-7-9-24(10-8-23)30(31,32)33)20-22-5-12-26(13-6-22)37-18-17-34-15-3-2-4-16-34/h5-14,19,36H,2-4,15-18,20H2,1H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129632
PNG
(US8815934, No. 109)
Show SMILES CC1CCCN(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)C1
Show InChI InChI=1S/C30H34N2O3/c1-21-4-3-15-31(19-21)16-17-35-27-12-5-23(6-13-27)20-32-29-14-11-26(34)18-28(29)22(2)30(32)24-7-9-25(33)10-8-24/h5-14,18,21,33-34H,3-4,15-17,19-20H2,1-2H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129628
PNG
(US8815934, No. 103)
Show SMILES CCCCN(CCCC)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H40N2O3/c1-4-6-18-33(19-7-5-2)20-21-37-29-15-8-25(9-16-29)23-34-31-17-14-28(36)22-30(31)24(3)32(34)26-10-12-27(35)13-11-26/h8-17,22,35-36H,4-7,18-21,23H2,1-3H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129625
PNG
(US8815934, No. 94)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(F)cc12
Show InChI InChI=1S/C29H31FN2O2/c1-21-27-19-24(30)9-14-28(27)32(29(21)23-7-10-25(33)11-8-23)20-22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,33H,2-4,15-18,20H2,1H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129620
PNG
(US8815934, No. 89)
Show SMILES COc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-25(33)10-15-29(28)32(30(22)24-8-13-26(34-2)14-9-24)21-23-6-11-27(12-7-23)35-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19,21H2,1-2H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129619
PNG
(US8815934, No. 88)
Show SMILES COc1ccc2n(Cc3ccc(OCCN4CCCCC4)cc3)c(c(C)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-27(34-2)14-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-12-26(13-7-23)35-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19,21H2,1-2H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129659
PNG
(US8815934, No. 85)
Show SMILES Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C29H32N2O/c1-23-27-12-6-7-13-28(27)31(29(23)25-10-4-2-5-11-25)22-24-14-16-26(17-15-24)32-21-20-30-18-8-3-9-19-30/h2,4-7,10-17H,3,8-9,18-22H2,1H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129622
PNG
(US8815934, No. 91)
Show SMILES COc1ccc(cc1)-c1c(C)c2cc(OC)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C32H38N2O3/c1-24-30-22-29(36-3)16-17-31(30)34(32(24)26-10-14-27(35-2)15-11-26)23-25-8-12-28(13-9-25)37-21-20-33-18-6-4-5-7-19-33/h8-17,22H,4-7,18-21,23H2,1-3H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM129621
PNG
(US8815934, No. 90)
Show SMILES COc1ccc(cc1)-c1c(C)c2cc(OC)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C31H36N2O3/c1-23-29-21-28(35-3)15-16-30(29)33(31(23)25-9-13-26(34-2)14-10-25)22-24-7-11-27(12-8-24)36-20-19-32-17-5-4-6-18-32/h7-16,21H,4-6,17-20,22H2,1-3H3
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Wyeth LLC

US Patent


Assay Description
The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...

US Patent US8815934 (2014)


BindingDB Entry DOI: 10.7270/Q2PZ57H0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%