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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'meerman' and Initial = 'jh'   
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 beta


(Ovis aries)
BDBM50474722
PNG
(3-Hydroxybenzo[A]Pyrene | Benzo[Def]Chrysen-3-Ol |...)
Show SMILES Oc1ccc2ccc3c4ccccc4cc4ccc1c2c34
Show InChI InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
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n/an/an/a 1.10E+3n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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n/an/an/a 5.90E+3n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474723
PNG
(CHEMBL7970 | Chrysen-3-ol)
Show SMILES Oc1ccc2ccc3c4ccccc4ccc3c2c1
Show InChI InChI=1S/C18H12O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-11,19H
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n/an/an/a 4.00E+3n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474724
PNG
(CHRYSENE-1,2-DIOL)
Show SMILES Oc1ccc2c(ccc3c4ccccc4ccc23)c1O
Show InChI InChI=1S/C18H12O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10,19-20H
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n/an/an/a 880n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474725
PNG
(CHEMBL414213)
Show SMILES CCC1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1CC2CC |c:12|
Show InChI InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3
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n/an/an/a 3n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/an/a 660n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50139862
PNG
(3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...)
Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2
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n/an/an/a 1.10E+4n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474727
PNG
(CHEBI:16548 | Kepone)
Show SMILES ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl |TLB:13:12:2:8.6,15:14:2:8.6,9:8:2:12.14,THB:10:12:2:8.6,10:8:2:12.14,16:14:2:8.6,16:6:2:12.14,(19.53,-28.13,;18.77,-26.81,;17.43,-27.58,;16.67,-28.91,;17.89,-25.92,;16.54,-26.67,;19.43,-25.92,;21.65,-25.93,;20.32,-26.82,;21.41,-27.9,;20.31,-25.27,;21.64,-24.49,;18.78,-25.28,;16.68,-24.65,;17.89,-24.38,;16.8,-23.28,;19.43,-24.38,;18.65,-23.03,;21.09,-23.92,;20.3,-22.58,;22.4,-23.14,)|
Show InChI InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
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n/an/an/a 490n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474728
PNG
(7,8-Dihydroxybenzo[A]Pyrene | Benzo[Def]Chrysene-7...)
Show SMILES Oc1ccc2c(cc3ccc4cccc5ccc2c3c45)c1O
Show InChI InChI=1S/C20H12O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,21-22H
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n/an/an/a 1.40E+4n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474729
PNG
(4,4''-Dibromo-Biphenyl | CHEMBL8166)
Show SMILES Brc1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
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n/an/an/a>3.00E+5n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474730
PNG
(2,2''-Dibromo-Biphenyl | CHEMBL267917)
Show SMILES Brc1ccccc1-c1ccccc1Br
Show InChI InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
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n/an/an/a 1.60E+5n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Ovis aries)
BDBM50474726
PNG
(CHEMBL275930)
Show SMILES CC(=O)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C |t:10|
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,15-19,23H,4-11H2,1-3H3
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n/an/an/a>3.00E+5n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor


J Med Chem 47: 1018-30 (2004)


Article DOI: 10.1021/jm0309607
BindingDB Entry DOI: 10.7270/Q2VM4G1B
More data for this
Ligand-Target Pair