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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'o''donovan' and Initial = 'dh'   
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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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1.90n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020341
PNG
(CLONIDINE HYDROCHLORIDE | Catapres | Clonidine HCl...)
Show SMILES Cl.Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Show InChI InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
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21n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020363
PNG
(CHEMBL3289551)
Show SMILES Cl.[#6]-[#6]-[#8]-c1ccc(cc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C11H15N3O.ClH/c1-2-15-10-5-3-9(4-6-10)14-11-12-7-8-13-11;/h3-6H,2,7-8H2,1H3,(H2,12,13,14);1H
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79n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020373
PNG
(CHEMBL3289540)
Show SMILES Cl.CCOc1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C9H13N3O.ClH/c1-2-13-8-5-3-7(4-6-8)12-9(10)11;/h3-6H,2H2,1H3,(H4,10,11,12);1H
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141n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020343
PNG
(CHEMBL3289532)
Show SMILES Cl.CN(C)c1ccc(cc1)\N=C(\N)NCc1ccco1
Show InChI InChI=1S/C14H18N4O.ClH/c1-18(2)12-7-5-11(6-8-12)17-14(15)16-10-13-4-3-9-19-13;/h3-9H,10H2,1-2H3,(H3,15,16,17);1H
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214n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020364
PNG
(CHEMBL3289521)
Show SMILES Cl.N=C(Nc1ccccc1)Nc1ccc2CCCCc2c1
Show InChI InChI=1S/C17H19N3.ClH/c18-17(19-15-8-2-1-3-9-15)20-16-11-10-13-6-4-5-7-14(13)12-16;/h1-3,8-12H,4-7H2,(H3,18,19,20);1H
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263n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020353
PNG
(CHEMBL3289522)
Show SMILES Cl.CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H18N4.ClH/c1-19(2)14-10-8-13(9-11-14)18-15(16)17-12-6-4-3-5-7-12;/h3-11H,1-2H3,(H3,16,17,18);1H
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389n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020344
PNG
(CHEMBL3289531)
Show SMILES Cl.N=C(NCc1ccco1)Nc1ccc2CCCCc2c1
Show InChI InChI=1S/C16H19N3O.ClH/c17-16(18-11-15-6-3-9-20-15)19-14-8-7-12-4-1-2-5-13(12)10-14;/h3,6-10H,1-2,4-5,11H2,(H3,17,18,19);1H
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513n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020370
PNG
(CHEMBL3289537)
Show SMILES Cl.CCCNC(=N)Nc1ccc2CCCCc2c1
Show InChI InChI=1S/C14H21N3.ClH/c1-2-9-16-14(15)17-13-8-7-11-5-3-4-6-12(11)10-13;/h7-8,10H,2-6,9H2,1H3,(H3,15,16,17);1H
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676n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020360
PNG
(CHEMBL3289548)
Show SMILES Cl.C1N\C(NC1c1ccco1)=N\c1ccc2CCCCc2c1
Show InChI InChI=1S/C17H19N3O.ClH/c1-2-5-13-10-14(8-7-12(13)4-1)19-17-18-11-15(20-17)16-6-3-9-21-16;/h3,6-10,15H,1-2,4-5,11H2,(H2,18,19,20);1H
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692n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020355
PNG
(CHEMBL3289543)
Show SMILES Cl.CC1CN\C(N1)=N\c1ccc2CCCCc2c1
Show InChI InChI=1S/C14H19N3.ClH/c1-10-9-15-14(16-10)17-13-7-6-11-4-2-3-5-12(11)8-13;/h6-8,10H,2-5,9H2,1H3,(H2,15,16,17);1H
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1.00E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020345
PNG
(CHEMBL3289530)
Show SMILES Cl.CCNc1ccc(cc1)\N=C(\N)NCc1ccco1
Show InChI InChI=1S/C14H18N4O.ClH/c1-2-16-11-5-7-12(8-6-11)18-14(15)17-10-13-4-3-9-19-13;/h3-9,16H,2,10H2,1H3,(H3,15,17,18);1H
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1.07E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020369
PNG
(CHEMBL3289536)
Show SMILES Cl.CCCNC(=N)Nc1ccc(cc1)N(C)C
Show InChI InChI=1S/C12H20N4.ClH/c1-4-9-14-12(13)15-10-5-7-11(8-6-10)16(2)3;/h5-8H,4,9H2,1-3H3,(H3,13,14,15);1H
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1.12E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020359
PNG
(CHEMBL3289547)
Show SMILES Cl.CN(C)c1ccc(cc1)\N=C1\NCC(N1)c1ccco1
Show InChI InChI=1S/C15H18N4O.ClH/c1-19(2)12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,10H2,1-2H3,(H2,16,17,18);1H
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1.32E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020342
PNG
(CHEMBL3289533)
Show SMILES Cl.CCOc1ccc(cc1)\N=C(\N)NCc1ccco1
Show InChI InChI=1S/C14H17N3O2.ClH/c1-2-18-12-7-5-11(6-8-12)17-14(15)16-10-13-4-3-9-19-13;/h3-9H,2,10H2,1H3,(H3,15,16,17);1H
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1.48E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020346
PNG
(CHEMBL3289529)
Show SMILES Cl.N=C(NCc1ccco1)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C13H13N3O3.ClH/c14-13(15-7-10-2-1-5-17-10)16-9-3-4-11-12(6-9)19-8-18-11;/h1-6H,7-8H2,(H3,14,15,16);1H
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1.51E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020362
PNG
(CHEMBL3289550)
Show SMILES Cl.C1Oc2ccc(cc2O1)\N=C1\NCC(N1)c1ccco1
Show InChI InChI=1S/C14H13N3O3.ClH/c1-2-11(18-5-1)10-7-15-14(17-10)16-9-3-4-12-13(6-9)20-8-19-12;/h1-6,10H,7-8H2,(H2,15,16,17);1H
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1.70E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020349
PNG
(CHEMBL3289526)
Show SMILES Cl.OCCNC(=N)Nc1ccc2CCCCc2c1
Show InChI InChI=1S/C13H19N3O.ClH/c14-13(15-7-8-17)16-12-6-5-10-3-1-2-4-11(10)9-12;/h5-6,9,17H,1-4,7-8H2,(H3,14,15,16);1H
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1.74E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020348
PNG
(CHEMBL3289527)
Show SMILES Cl.CN(C)c1ccc(NC(=N)NCCO)cc1
Show InChI InChI=1S/C11H18N4O.ClH/c1-15(2)10-5-3-9(4-6-10)14-11(12)13-7-8-16;/h3-6,16H,7-8H2,1-2H3,(H3,12,13,14);1H
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1.86E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020361
PNG
(CHEMBL3289549)
Show SMILES Cl.CCNc1ccc(cc1)\N=C1\NCC(N1)c1ccco1
Show InChI InChI=1S/C15H18N4O.ClH/c1-2-16-11-5-7-12(8-6-11)18-15-17-10-13(19-15)14-4-3-9-20-14;/h3-9,13,16H,2,10H2,1H3,(H2,17,18,19);1H
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2.19E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020352
PNG
(CHEMBL3289523)
Show SMILES Cl.CCOc1ccc(NC(=N)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O.ClH/c1-2-19-14-10-8-13(9-11-14)18-15(16)17-12-6-4-3-5-7-12;/h3-11H,2H2,1H3,(H3,16,17,18);1H
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2.24E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020357
PNG
(CHEMBL3289545)
Show SMILES Cl.CC1CN\C(N1)=N\c1ccc2OCOc2c1
Show InChI InChI=1S/C11H13N3O2.ClH/c1-7-5-12-11(13-7)14-8-2-3-9-10(4-8)16-6-15-9;/h2-4,7H,5-6H2,1H3,(H2,12,13,14);1H
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2.34E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020358
PNG
(CHEMBL3289546)
Show SMILES Cl.CCOc1ccc(cc1)\N=C1\NCC(N1)c1ccco1
Show InChI InChI=1S/C15H17N3O2.ClH/c1-2-19-12-7-5-11(6-8-12)17-15-16-10-13(18-15)14-4-3-9-20-14;/h3-9,13H,2,10H2,1H3,(H2,16,17,18);1H
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2.63E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020354
PNG
(CHEMBL3289542)
Show SMILES Cl.CC1CN\C(N1)=N\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C12H18N4.ClH/c1-9-8-13-12(14-9)15-10-4-6-11(7-5-10)16(2)3;/h4-7,9H,8H2,1-3H3,(H2,13,14,15);1H
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3.31E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020367
PNG
(CHEMBL3289535)
Show SMILES Cl.CCCNC(=N)Nc1ccc(OCC)cc1
Show InChI InChI=1S/C12H19N3O.ClH/c1-3-9-14-12(13)15-10-5-7-11(8-6-10)16-4-2;/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15);1H
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4.27E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020366
PNG
(CHEMBL3289534)
Show SMILES Cl.N=C(Nc1ccccc1)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C14H13N3O2.ClH/c15-14(16-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)19-9-18-12;/h1-8H,9H2,(H3,15,16,17);1H
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4.37E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020365
PNG
(CHEMBL3289520)
Show SMILES Cl.CCNc1ccc(NC(=N)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H18N4.ClH/c1-2-17-12-8-10-14(11-9-12)19-15(16)18-13-6-4-3-5-7-13;/h3-11,17H,2H2,1H3,(H3,16,18,19);1H
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4.90E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020371
PNG
(CHEMBL3289538)
Show SMILES Cl.CCCNC(=N)Nc1ccc(NCC)cc1
Show InChI InChI=1S/C12H20N4.ClH/c1-3-9-15-12(13)16-11-7-5-10(6-8-11)14-4-2;/h5-8,14H,3-4,9H2,1-2H3,(H3,13,15,16);1H
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8.32E+3n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020351
PNG
(CHEMBL3289524)
Show SMILES Cl.OCCNC(=N)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C10H13N3O3.ClH/c11-10(12-3-4-14)13-7-1-2-8-9(5-7)16-6-15-8;/h1-2,5,14H,3-4,6H2,(H3,11,12,13);1H
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1.17E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020356
PNG
(CHEMBL3289544)
Show SMILES Cl.CCNc1ccc(cc1)\N=C1\NCC(C)N1
Show InChI InChI=1S/C12H18N4.ClH/c1-3-13-10-4-6-11(7-5-10)16-12-14-8-9(2)15-12;/h4-7,9,13H,3,8H2,1-2H3,(H2,14,15,16);1H
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1.23E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020374
PNG
(CHEMBL3289541)
Show SMILES Cl.CCOc1ccc(cc1)\N=C1\NCC(C)N1
Show InChI InChI=1S/C12H17N3O.ClH/c1-3-16-11-6-4-10(5-7-11)15-12-13-8-9(2)14-12;/h4-7,9H,3,8H2,1-2H3,(H2,13,14,15);1H
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1.41E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020372
PNG
(CHEMBL3289539)
Show SMILES Cl.CCCNC(=N)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15N3O2.ClH/c1-2-5-13-11(12)14-8-3-4-9-10(6-8)16-7-15-9;/h3-4,6H,2,5,7H2,1H3,(H3,12,13,14);1H
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1.51E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020350
PNG
(CHEMBL3289525)
Show SMILES Cl.CCNc1ccc(NC(=N)NCCO)cc1
Show InChI InChI=1S/C11H18N4O.ClH/c1-2-13-9-3-5-10(6-4-9)15-11(12)14-7-8-16;/h3-6,13,16H,2,7-8H2,1H3,(H3,12,14,15);1H
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1.86E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50020347
PNG
(CHEMBL3289528)
Show SMILES Cl.CCOc1ccc(NC(=N)NCCO)cc1
Show InChI InChI=1S/C11H17N3O2.ClH/c1-2-16-10-5-3-9(4-6-10)14-11(12)13-7-8-15;/h3-6,15H,2,7-8H2,1H3,(H3,12,13,14);1H
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1.91E+4n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ...


Eur J Med Chem 82: 242-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.0398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(1-(3-fluoropropyl)-N-(3-methoxy-4-((6S,8R)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.0631n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of cycloheximide by Western blot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299117
PNG
((6S,8R)-7-((l-fluorocyclopropyl)methyl)-6-(4-(2-(3...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299111
PNG
(US10125135, Example 1)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
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n/an/a 0.126n/an/an/an/an/an/a


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Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548427
PNG
(CHEMBL4780809)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(N[C@H]2CCN(CCCF)C2)cn1 |r|
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n/an/a 0.126n/an/an/an/an/an/a


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Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299115
PNG
((6S,8R)-7-(2-fluoro-2-methylpropyl)-6-(4-(2-(3-(fl...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548432
PNG
(CHEMBL4785486)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ccc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299139
PNG
((6R,8R)-6-(4-(2- (3- (fluoromethyl) azetidin-1- yl...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression by Western blot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300994
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299144
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
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