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PubMed code 6471068

Compile data set for download or QSAR
Found 7 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


(RAT-Rattus norvegicus)		BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/a 3.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(RAT-Rattus norvegicus)		BDBM50225310
PNG
(CHEMBL1794824)
Show SMILES [H][C@](O)(C#C)C12CCCC1C1CCC3=CC(=O)CC[C@]3([H])C1CC2.[H][C@@](O)(C#C)C12CCCC1C1CCC3=CC(=O)CC[C@]3([H])C1CC2 |t:14,41|
Show InChI InChI=1S/C20H26O2/c1-2-19(22)20-10-3-4-18(20)17-7-5-13-12-14(21)6-8-15(13)16(17)9-11-20/h1,12,15-19,22H,3-11H2/t15-,16?,17?,18?,19+,20?/m0/s1
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n/an/an/a 160n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(RAT-Rattus norvegicus)		BDBM50225314
PNG
(CHEMBL1627822)
Show SMILES [H][C@@]12CCC[C@@]1(CO)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C18H24O2/c19-11-18-8-1-2-17(18)16-5-3-12-10-13(20)4-6-14(12)15(16)7-9-18/h4,6,10,15-17,19-20H,1-3,5,7-9,11H2/t15-,16-,17+,18+/m1/s1
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n/an/an/a 0.620n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(RAT-Rattus norvegicus)		BDBM50225313
PNG
(CHEMBL273571)
Show SMILES [H][C@@]12CCC[C@]1(CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])C(OC(C)=O)C(C)=O |c:17|
Show InChI InChI=1S/C22H30O4/c1-13(23)21(26-14(2)24)22-10-3-4-20(22)19-7-5-15-12-16(25)6-8-17(15)18(19)9-11-22/h12,17-21H,3-11H2,1-2H3/t17-,18+,19+,20-,21?,22+/m0/s1
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n/an/an/a 5.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(RAT-Rattus norvegicus)		BDBM50225311
PNG
(CHEMBL15128)
Show SMILES [H][C@@]12CCC[C@@]1(CC(C)=O)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:21|
Show InChI InChI=1S/C20H28O2/c1-13(21)12-20-9-2-3-19(20)18-6-4-14-11-15(22)5-7-16(14)17(18)8-10-20/h11,16-19H,2-10,12H2,1H3/t16-,17+,18+,19-,20-/m0/s1
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n/an/an/a 220n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(RAT-Rattus norvegicus)		BDBM50225312
PNG
(CHEMBL14506)
Show SMILES [H][C@@](O)(C#C)C12CCCC1C1CCC3=CC(=O)CC[C@]3([H])C1CC2 |t:14|
Show InChI InChI=1S/C20H26O2/c1-2-19(22)20-10-3-4-18(20)17-7-5-13-12-14(21)6-8-15(13)16(17)9-11-20/h1,12,15-19,22H,3-11H2/t15-,16?,17?,18?,19+,20?/m0/s1
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n/an/an/a 730n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(RAT-Rattus norvegicus)		BDBM50148732
PNG
(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8|
Show InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
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PubMed
n/an/an/a 0.630n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol

J Med Chem 27: 1131-7 (1984)


BindingDB Entry DOI: 10.7270/Q2W95CDM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%