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PubMed code 14643309

Compile data set for download or QSAR
Found 12 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))
BDBM50136241
PNG
((3S,3aS,10bR)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14-,16-/m0/s1
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4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50136243
PNG
((13S,14S,17R)-13-Methyl-7,8,9,11,12,13,14,15,16,17...)
Show SMILES C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Show InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1
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8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50136240
PNG
((3S,3aS,10bS)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14+,16+/m1/s1
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50136241
PNG
((3S,3aS,10bR)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14-,16-/m0/s1
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor beta


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50136242
PNG
((3R,3aR,10bS)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14-,16-/m1/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50136242
PNG
((3R,3aR,10bS)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14-,16-/m1/s1
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor beta


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50136238
PNG
((3R,3aS,10bR)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14+,16-/m0/s1
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23n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50136243
PNG
((13S,14S,17R)-13-Methyl-7,8,9,11,12,13,14,15,16,17...)
Show SMILES C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Show InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1
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PubMed
24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor beta


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50136239
PNG
((3R,3aR,10bR)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14+,16+/m0/s1
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PubMed
24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor alpha


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50136240
PNG
((3S,3aS,10bS)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14+,16+/m1/s1
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PubMed
47n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor beta


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50136238
PNG
((3R,3aS,10bR)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14+,16-/m0/s1
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PubMed
73n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor beta


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50136239
PNG
((3R,3aR,10bR)-3a-Methyl-2,3,3a,4,5,10b-hexahydro-1...)
Show SMILES C[C@@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O
Show InChI InChI=1S/C16H18O2S/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14+,16+/m0/s1
UniProtKB/SwissProt

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120n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human estrogen receptor beta


Bioorg Med Chem Lett 13: 4281-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.060
BindingDB Entry DOI: 10.7270/Q2Z037KZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%