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PubMed code 1548683

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


(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 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230556
PNG
(CHEMBL176509)
Show SMILES Oc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CC1
Show InChI InChI=1S/C30H31NO4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)29(27)30(34)22-6-12-26(13-7-22)35-19-18-31-16-2-1-3-17-31/h4-7,9-13,15,20,32-33H,1-3,8,14,16-19H2
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n/an/a 73n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230557
PNG
(CHEBI:90187 | LY-117018)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2
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n/an/a 120n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230560
PNG
(CHEMBL2112950)
Show SMILES Oc1ccc-2c(c1)C(c1c-2ccc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H29NO3/c32-22-7-12-25-21(18-22)6-11-27-26-13-8-23(33)19-28(26)29(30(25)27)20-4-9-24(10-5-20)34-17-16-31-14-2-1-3-15-31/h4-13,18-19,29,32-33H,1-3,14-17H2
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n/an/a 125n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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PubMed
n/an/a 170n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230558
PNG
(CHEMBL2112949)
Show SMILES Oc1ccc2c3C(c4ccccc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H29NO2/c32-23-11-15-25-22(20-23)10-14-28-26-6-2-3-7-27(26)29(30(25)28)21-8-12-24(13-9-21)33-19-18-31-16-4-1-5-17-31/h2-3,6-15,20,29,32H,1,4-5,16-19H2
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n/an/a 740n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50230559
PNG
(CHEMBL367432)
Show SMILES Oc1ccc2C(C(=O)c3ccc(OCCN4CCCCC4)cc3)=C(CCc2c1)c1ccccc1
Show InChI InChI=1S/C30H31NO3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)29(28)30(33)23-9-13-26(14-10-23)34-20-19-31-17-5-2-6-18-31/h1,3-4,7-10,12-14,16,21,32H,2,5-6,11,15,17-20H2
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n/an/a 1.65E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%