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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'thompson' and Initial = 'cb'   
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


(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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PubMed
n/an/a 3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor (ER)


J Med Chem 32: 192-7 (1989)


BindingDB Entry DOI: 10.7270/Q28K782T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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PubMed
n/an/a 12n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)


J Med Chem 32: 192-7 (1989)


BindingDB Entry DOI: 10.7270/Q28K782T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM50020285
PNG
(3'-Methoxy-4'Hydroxyclomiphene | 4-{2-Chloro-1-[4-...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-20(12-15-23)26(27(28)21-9-7-6-8-10-21)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26-
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n/an/a 22n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)


J Med Chem 32: 192-7 (1989)


BindingDB Entry DOI: 10.7270/Q28K782T
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM50020286
PNG
(4-{1-Chloro-2-[4-(2-diethylamino-ethoxy)-phenyl]-2...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccc(O)c(OC)c1)\c1ccccc1
Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-21(12-15-23)26(20-9-7-6-8-10-20)27(28)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26+
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n/an/a 32n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)


J Med Chem 32: 192-7 (1989)


BindingDB Entry DOI: 10.7270/Q28K782T
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50020285
PNG
(3'-Methoxy-4'Hydroxyclomiphene | 4-{2-Chloro-1-[4-...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-20(12-15-23)26(27(28)21-9-7-6-8-10-21)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26-
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PubMed
n/an/a 780n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor (ER)


J Med Chem 32: 192-7 (1989)


BindingDB Entry DOI: 10.7270/Q28K782T
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50020286
PNG
(4-{1-Chloro-2-[4-(2-diethylamino-ethoxy)-phenyl]-2...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccc(O)c(OC)c1)\c1ccccc1
Show InChI InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-21(12-15-23)26(20-9-7-6-8-10-20)27(28)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3/b27-26+
PDB

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antibodypedia
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PC cid
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from estrogen receptor (ER)


J Med Chem 32: 192-7 (1989)


BindingDB Entry DOI: 10.7270/Q28K782T
More data for this
Ligand-Target Pair