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PubMed code 26241875

Compile data set for download or QSAR
Found 3 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 beta


(Homo sapiens (Human))		BDBM50118675
PNG
(Isopaucifloral F)
Show SMILES Oc1ccc(cc1)[C@H]1[C@@H](C(=O)c2cc(O)cc(O)c12)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H16O6/c22-12-3-1-10(2-4-12)18-19(11-5-13(23)7-14(24)6-11)21(27)16-8-15(25)9-17(26)20(16)18/h1-9,18-19,22-26H/t18-,19-/m0/s1
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antibodypedia
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Article
PubMed
n/an/an/an/a 4.70E+4n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (248 to 510 amino acid residues) (unknown origin) assessed as induction of interaction with SRC1 after 24 hrs by yeast two...

Eur J Med Chem 102: 26-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.042
BindingDB Entry DOI: 10.7270/Q2PC3463
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50118677
PNG
(CHEMBL3617358)
Show SMILES Oc1ccc(cc1)C1C(=C(Cc2ccc(Cl)cc2)c2cc(O)cc(O)c12)c1cc(O)cc(O)c1 |t:9|
Show InChI InChI=1S/C28H21ClO5/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-8,10-14,27,30-34H,9H2
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antibodypedia
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Article
PubMed
n/an/an/an/a 4.58E+4n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (248 to 510 amino acid residues) (unknown origin) assessed as induction of interaction with SRC1 after 24 hrs by yeast two...

Eur J Med Chem 102: 26-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.042
BindingDB Entry DOI: 10.7270/Q2PC3463
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50118704
PNG
(CHEMBL3617360)
Show SMILES [H][C@]12[C@@H](c3c(cc(O)cc3O)[C@@]1([H])[C@@H](c1c2cc(O)cc1O)c1ccc(O)cc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C29H24O5/c1-14-2-4-15(5-3-14)24-26-20(10-18(31)12-22(26)33)29-25(16-6-8-17(30)9-7-16)27-21(28(24)29)11-19(32)13-23(27)34/h2-13,24-25,28-34H,1H3/t24-,25-,28+,29+/m1/s1
PDB

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antibodypedia
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UniChem

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Article
PubMed
n/an/an/an/a 5.65E+3n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (248 to 510 amino acid residues) (unknown origin) assessed as induction of interaction with SRC1 after 24 hrs by yeast two...

Eur J Med Chem 102: 26-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.042
BindingDB Entry DOI: 10.7270/Q2PC3463
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%