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PubMed code 16441086

Compile data set for download or QSAR
Found 4 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))		BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)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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Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antiestrogenic activity at estrogen receptor alpha (unknown origin) expressed in yeast cells assessed as inhibition of 17beta-estradiol-induced beta-...

J Nat Prod 69: 138-41 (2006)


Article DOI: 10.1021/np050341w
BindingDB Entry DOI: 10.7270/Q261103J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50250234
PNG
((+/-)-Furowanin B | CHEMBL491885)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c2-[#8]-[#6](-[#6]-c2c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8])C([#6])([#6])[#8]
Show InChI InChI=1S/C25H26O7/c1-12(2)5-7-14-21(28)20-22(29)16(13-6-8-17(26)18(27)9-13)11-31-24(20)15-10-19(25(3,4)30)32-23(14)15/h5-6,8-9,11,19,26-28,30H,7,10H2,1-4H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antiestrogenic activity at estrogen receptor alpha (unknown origin) expressed in yeast cells assessed as inhibition of 17beta-estradiol-induced beta-...

J Nat Prod 69: 138-41 (2006)


Article DOI: 10.1021/np050341w
BindingDB Entry DOI: 10.7270/Q261103J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50250233
PNG
((+/-)-Millewanin H | CHEMBL523654)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8]
Show InChI InChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)25-21(23(15)30)24(31)17(11-32-25)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antiestrogenic activity at estrogen receptor alpha (unknown origin) expressed in yeast cells assessed as inhibition of 17beta-estradiol-induced beta-...

J Nat Prod 69: 138-41 (2006)


Article DOI: 10.1021/np050341w
BindingDB Entry DOI: 10.7270/Q261103J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50250224
PNG
((+/-)-3-(3',4'-dihydroxyphenyl)-5,7-dihydroxy-6,8-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O
Show InChI InChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)23(30)21-24(31)17(11-32-25(15)21)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antiestrogenic activity at estrogen receptor alpha (unknown origin) expressed in yeast cells assessed as inhibition of 17beta-estradiol-induced beta-...

J Nat Prod 69: 138-41 (2006)


Article DOI: 10.1021/np050341w
BindingDB Entry DOI: 10.7270/Q261103J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%