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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 50180684   
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))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 0.530n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Displacement of fluormone-labeled ES2 from recombinant full length human ERalpha ligand binding domain expressed in insect cells after 2 hrs by TR-FR...


ACS Med Chem Lett 8: 102-106 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00410
BindingDB Entry DOI: 10.7270/Q2J10557
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...


J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced GREB1 ...


J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 10n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...


Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 70n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...


Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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KEGG

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n/an/a>100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a>100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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KEGG

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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 (unknown origin) incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112281
BindingDB Entry DOI: 10.7270/Q2GB27SC
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 5.30E+5n/an/an/an/an/an/a



State University of New York Upstate Medical University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal aromatase using testosterone as substrate assessed as formation of estradiol after 10 mins


J Med Chem 59: 5131-48 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01281
BindingDB Entry DOI: 10.7270/Q2TM7D2S
More data for this
Ligand-Target Pair