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Compile Data Set for Download or QSAR

Found 8 hits of kd for UniProtKB: P06211   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(RAT)
BDBM50016934
PNG
(CHEBI:82520 | ESTRADIOL MUSTARD)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(cc1)N(CCCl)CCCl
Show InChI InChI=1S/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estradiol from estradiol receptor in rat uterine cytosol


J Med Chem 20: 1134-9 (1978)


Article DOI: 10.1021/jm00219a005
BindingDB Entry DOI: 10.7270/Q2RX9DM6
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50225310
PNG
(CHEMBL1794824)
Show SMILES O[C@@H](C#C)C12CCCC1C1CCC3=CC(=O)CC[C@@H]3C1CC2.O[C@H](C#C)C12CCCC1C1CCC3=CC(=O)CC[C@@H]3C1CC2
Show InChI InChI=1S/2C20H26O2/c2*1-2-19(22)20-10-3-4-18(20)17-7-5-13-12-14(21)6-8-15(13)16(17)9-11-20/h2*1,12,15-19,22H,3-11H2/t15-,16?,17?,18?,19+,20?;15-,16?,17?,18?,19-,20?/m00/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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair
Estrogen receptor


(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
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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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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50225312
PNG
(CHEMBL14506)
Show SMILES O[C@H](C#C)C12CCCC1C1CCC3=CC(=O)CC[C@@H]3C1CC2
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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50225313
PNG
(CHEMBL273571)
Show SMILES CC(=O)OC(C(C)=O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50225314
PNG
(CHEMBL1627822)
Show SMILES OC[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2
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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT-Rattus norvegicus)
BDBM50225311
PNG
(CHEMBL15128)
Show SMILES CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
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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PubMed
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)


Article DOI: 10.1021/jm00375a008
More data for this
Ligand-Target Pair