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PubMed code 19239259

Compile data set for download or QSAR
Found 66 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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276129
PNG
((2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-...)
Show SMILES CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O2/c1-2-22-14-21(24)19(15-6-4-3-5-7-15)13-17(22)9-8-16-12-18(23)10-11-20(16)22/h3-7,10-12,17,19,21,23-24H,2,8-9,13-14H2,1H3/t17-,19+,21+,22-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276434
PNG
((2R,4aR,10aR)-4a-Propyl-2-prop-1-ynyl-1,2,3,4,4a,9...)
Show SMILES CCC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C20H26O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h7-8,13,16,21-22H,4-6,10-12,14H2,1-2H3/t16-,19-,20-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276437
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC
Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276171
PNG
((2R,4aS,10aR)-4a-Propenyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES C\C=C\[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,10,13,16,21-22H,5-6,11-12,14H2,1-2H3/b10-4+/t16-,19-,20-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276128
PNG
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276475
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-3-28-15-16-29(31,24-9-5-4-6-10-24)19-25(28)12-11-22-18-26(13-14-27(22)28)32-20-23-8-7-17-30-21(23)2/h4-10,13-14,17-18,25,31H,3,11-12,15-16,19-20H2,1-2H3/t25-,28-,29-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276169
PNG
((2R,4aR,10aR)-4a-Methyl-2-prop-1-ynyl-1,2,3,4,4a,9...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C18H22O2/c1-3-8-18(20)10-9-17(2)14(12-18)5-4-13-11-15(19)6-7-16(13)17/h6-7,11,14,19-20H,4-5,9-10,12H2,1-2H3/t14-,17-,18-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276474
PNG
((2R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O2/c1-2-21-12-13-22(24,17-6-4-3-5-7-17)15-18(21)9-8-16-14-19(23)10-11-20(16)21/h3-7,10-11,14,18,23-24H,2,8-9,12-13,15H2,1H3/t18-,21-,22-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276437
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC
Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as supression of NFkappaB-induced IL8 production


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276473
PNG
((2S,4R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-18(22)11-14-6-5-13-10-15(20)7-8-16(13)19(14,4-2)17(21)12-18/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17-,18+,19-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276437
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC
Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276436
PNG
((4aS,10aR)-4a-(2-Hydroxyethyl)-2-prop-1-ynyl-1,2,3...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CCO)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C19H24O3/c1-2-7-18(22)8-9-19(10-11-20)15(13-18)4-3-14-12-16(21)5-6-17(14)19/h5-6,12,15,20-22H,3-4,8-11,13H2,1H3/t15-,18-,19+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276435
PNG
((4aS,10aR)-4a-Hydroxymethyl-2-prop-1-ynyl-1,2,3,4,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CO)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C18H22O3/c1-2-7-17(21)8-9-18(12-19)14(11-17)4-3-13-10-15(20)5-6-16(13)18/h5-6,10,14,19-21H,3-4,8-9,11-12H2,1H3/t14-,17-,18+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276129
PNG
((2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-...)
Show SMILES CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O2/c1-2-22-14-21(24)19(15-6-4-3-5-7-15)13-17(22)9-8-16-12-18(23)10-11-20(16)22/h3-7,10-12,17,19,21,23-24H,2,8-9,13-14H2,1H3/t17-,19+,21+,22-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276475
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-3-28-15-16-29(31,24-9-5-4-6-10-24)19-25(28)12-11-22-18-26(13-14-27(22)28)32-20-23-8-7-17-30-21(23)2/h4-10,13-14,17-18,25,31H,3,11-12,15-16,19-20H2,1-2H3/t25-,28-,29-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276437
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC
Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276434
PNG
((2R,4aR,10aR)-4a-Propyl-2-prop-1-ynyl-1,2,3,4,4a,9...)
Show SMILES CCC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C20H26O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h7-8,13,16,21-22H,4-6,10-12,14H2,1-2H3/t16-,19-,20-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276169
PNG
((2R,4aR,10aR)-4a-Methyl-2-prop-1-ynyl-1,2,3,4,4a,9...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C18H22O2/c1-3-8-18(20)10-9-17(2)14(12-18)5-4-13-11-15(19)6-7-16(13)17/h6-7,11,14,19-20H,4-5,9-10,12H2,1-2H3/t14-,17-,18-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276171
PNG
((2R,4aS,10aR)-4a-Propenyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES C\C=C\[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,10,13,16,21-22H,5-6,11-12,14H2,1-2H3/b10-4+/t16-,19-,20-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276128
PNG
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276474
PNG
((2R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O2/c1-2-21-12-13-22(24,17-6-4-3-5-7-17)15-18(21)9-8-16-14-19(23)10-11-20(16)21/h3-7,10-11,14,18,23-24H,2,8-9,12-13,15H2,1H3/t18-,21-,22-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276473
PNG
((2S,4R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-18(22)11-14-6-5-13-10-15(20)7-8-16(13)19(14,4-2)17(21)12-18/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17-,18+,19-/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276473
PNG
((2S,4R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-18(22)11-14-6-5-13-10-15(20)7-8-16(13)19(14,4-2)17(21)12-18/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17-,18+,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERalpha


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50276473
PNG
((2S,4R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show InChI InChI=1S/C19H24O3/c1-3-9-18(22)11-14-6-5-13-10-15(20)7-8-16(13)19(14,4-2)17(21)12-18/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17-,18+,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%