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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM23420'   
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))
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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antibodypedia
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MCE
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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled ES2 from recombinant ERalpha


J Med Chem 53: 6153-63 (2010)


Article DOI: 10.1021/jm100610w
BindingDB Entry DOI: 10.7270/Q26973RB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
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PDB
UniChem

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Article
PubMed
n/an/a 2.16E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha in competitive binding assay


Bioorg Med Chem Lett 14: 1417-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.031
BindingDB Entry DOI: 10.7270/Q28G8K4S
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Université de Lausanne

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


J Nat Prod 65: 1749-53 (2002)


Article DOI: 10.1021/np0201164
BindingDB Entry DOI: 10.7270/Q2S46RQX
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.67E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114658
BindingDB Entry DOI: 10.7270/Q2NP28CD
More data for this
Ligand-Target Pair