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PubMed code 11965371

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))
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from Estrogen receptor alpha


Bioorg Med Chem Lett 12: 1283-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00144-0
BindingDB Entry DOI: 10.7270/Q2PG1R21
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from Estrogen receptor alpha


Bioorg Med Chem Lett 12: 1283-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00144-0
BindingDB Entry DOI: 10.7270/Q2PG1R21
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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PubMed
n/an/a 8.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from Estrogen receptor alpha


Bioorg Med Chem Lett 12: 1283-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00144-0
BindingDB Entry DOI: 10.7270/Q2PG1R21
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50112407
PNG
(5-(3-{4-[1-ethyl-2-(4-hydroxyphenyl)-(E)-1-butenyl...)
Show SMILES CC\C(=C(\CC)c1ccc(OCCCC(=O)NCc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C43H39NO8/c1-3-33(27-8-12-29(45)13-9-27)34(4-2)28-10-16-32(17-11-28)51-21-5-6-41(48)44-25-26-7-18-35(38(22-26)43(49)50)42-36-19-14-30(46)23-39(36)52-40-24-31(47)15-20-37(40)42/h7-20,22-24,45-46H,3-6,21,25H2,1-2H3,(H,44,48)(H,49,50)/b34-33+
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n/an/an/a 5.80n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant for Estrogen receptor alpha


Bioorg Med Chem Lett 12: 1283-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00144-0
BindingDB Entry DOI: 10.7270/Q2PG1R21
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%