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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'eignerová' and Initial = 'b'   
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))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 0.508n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity a...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 9.27n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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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n/an/a 10.7n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by lu...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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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n/an/a 21.0n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by l...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417023
PNG
(CHEMBL1258901)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/a 3.13E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity a...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50417023
PNG
(CHEMBL1258901)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/a 3.81E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50417030
PNG
(CHEMBL1257167)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(33)14-15(17)4-6-19(18)20(21)9-13-22(21,34)10-2-3-11-23(26,24(27,28)29)25(30,31)32/h2-3,5,7,14,18-20,33-34H,4,6,8-13H2,1H3/b3-2+/t18-,19-,20+,21+,22+/m1/s1
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n/an/a 5.14E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417022
PNG
(CHEMBL1258783)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,23(26,27)28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity a...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50417028
PNG
(CHEMBL1258902)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(33)14-15(17)4-6-19(18)20(21)9-13-22(21,34)10-2-3-11-23(26,27)24(28,29)25(30,31)32/h2-3,5,7,14,18-20,33-34H,4,6,8-13H2,1H3/b3-2+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50417029
PNG
(CHEMBL1257168)
Show SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1 |r|
Show InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(34-2)14-15(17)4-6-19(18)20(21)9-13-22(21,33)10-3-11-23(26,27)24(28,29)25(30,31)32/h3,5,7,10,14,18-20,33H,4,6,8-9,11-13H2,1-2H3/b10-3+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 5.19E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417025
PNG
(CHEMBL1257284)
Show SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1 |r|
Show InChI InChI=1S/C26H31F7O2/c1-22-13-9-19-18-8-6-17(35-2)15-16(18)5-7-20(19)21(22)10-14-23(22,34)11-3-4-12-24(27,28)25(29,30)26(31,32)33/h3-4,6,8,15,19-21,34H,5,7,9-14H2,1-2H3/b4-3+/t19-,20-,21+,22+,23+/m1/s1
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n/an/an/an/a 1.66E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417023
PNG
(CHEMBL1258901)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/an/an/a 35.5n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417030
PNG
(CHEMBL1257167)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(33)14-15(17)4-6-19(18)20(21)9-13-22(21,34)10-2-3-11-23(26,24(27,28)29)25(30,31)32/h2-3,5,7,14,18-20,33-34H,4,6,8-13H2,1H3/b3-2+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 403n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417028
PNG
(CHEMBL1258902)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(33)14-15(17)4-6-19(18)20(21)9-13-22(21,34)10-2-3-11-23(26,27)24(28,29)25(30,31)32/h2-3,5,7,14,18-20,33-34H,4,6,8-13H2,1H3/b3-2+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 485n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/an/a 0.338n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity aft...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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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n/an/an/an/a 0.458n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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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n/an/an/an/a 2.77n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50417022
PNG
(CHEMBL1258783)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,23(26,27)28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/an/an/a 9.95E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417027
PNG
(CHEMBL1256103)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F13O2/c1-21-12-8-18-17-7-5-16(42)14-15(17)4-6-19(18)20(21)9-13-22(21,43)10-2-3-11-23(29,30)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)41/h2-3,5,7,14,18-20,42-43H,4,6,8-13H2,1H3/b3-2+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 1.03E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417029
PNG
(CHEMBL1257168)
Show SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1 |r|
Show InChI InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(34-2)14-15(17)4-6-19(18)20(21)9-13-22(21,33)10-3-11-23(26,27)24(28,29)25(30,31)32/h3,5,7,10,14,18-20,33H,4,6,8-9,11-13H2,1-2H3/b10-3+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 4.03E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50417024
PNG
(CHEMBL1256102)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F13O2/c1-20-11-7-17-16-6-4-15(41)13-14(16)3-5-18(17)19(20)8-12-21(20,42)9-2-10-22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h2,4,6,9,13,17-19,41-42H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/an/an/a 2.08E+3n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucife...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417026
PNG
(CHEMBL1256105)
Show SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1 |r|
Show InChI InChI=1S/C29H31F13O2/c1-22-13-9-19-18-8-6-17(44-2)15-16(18)5-7-20(19)21(22)10-14-23(22,43)11-3-4-12-24(30,31)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)42/h3-4,6,8,15,19-21,43H,5,7,9-14H2,1-2H3/b4-3+/t19-,20-,21+,22+,23+/m1/s1
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n/an/an/an/a 6.73n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after ...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50417023
PNG
(CHEMBL1258901)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/an/an/a 129n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50417027
PNG
(CHEMBL1256103)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F13O2/c1-21-12-8-18-17-7-5-16(42)14-15(17)4-6-19(18)20(21)9-13-22(21,43)10-2-3-11-23(29,30)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)41/h2-3,5,7,14,18-20,42-43H,4,6,8-13H2,1H3/b3-2+/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 52n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair