Compile Data Set for Download or QSAR
Found 24 Enz. Inhib. hit(s) with all data for entry = 50003482
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50276802(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
Affinity DataIC50: 3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471588(CHEMBL1237293)
Show SMILES CCCC\C(CC)=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.CCCC\C(CC)=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C26H37NO2/c1-5-9-10-21(6-2)26(22-11-15-24(28)16-12-22)23-13-17-25(18-14-23)29-20-19-27(7-3)8-4/h11-18,28H,5-10,19-20H2,1-4H3/b26-21+
Affinity DataIC50: 150nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471604(CHEMBL273663)
Show SMILES CC(C)N(CCOc1ccc(cc1)C(=C1CCCCC1)c1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C27H37NO2/c1-20(2)28(21(3)4)18-19-30-26-16-12-24(13-17-26)27(22-8-6-5-7-9-22)23-10-14-25(29)15-11-23/h10-17,20-21,29H,5-9,18-19H2,1-4H3
Affinity DataIC50: 200nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM20607((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-
Affinity DataIC50: 300nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471587(CHEMBL13289)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C/C(C)C)\c1ccc(O)cc1
Show InChI InChI=1S/C23H31NO2/c1-5-24(6-2)15-16-26-22-13-9-20(10-14-22)23(17-18(3)4)19-7-11-21(25)12-8-19/h7-14,17-18,25H,5-6,15-16H2,1-4H3/b23-17-
Affinity DataIC50: 500nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471592(CHEMBL12959)
Show SMILES CCCC\C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C24H33NO2/c1-4-7-8-9-24(20-10-14-22(26)15-11-20)21-12-16-23(17-13-21)27-19-18-25(5-2)6-3/h9-17,26H,4-8,18-19H2,1-3H3/b24-9-
Affinity DataIC50: 500nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471598(CHEMBL13489)
Show SMILES CCCCC\C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C25H35NO2/c1-4-7-8-9-10-25(21-11-15-23(27)16-12-21)22-13-17-24(18-14-22)28-20-19-26(5-2)6-3/h10-18,27H,4-9,19-20H2,1-3H3/b25-10-
Affinity DataIC50: 900nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471605(CHEMBL13251)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C/Cc1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO2/c1-3-28(4-2)20-21-30-26-17-13-24(14-18-26)27(23-11-15-25(29)16-12-23)19-10-22-8-6-5-7-9-22/h5-9,11-19,29H,3-4,10,20-21H2,1-2H3/b27-19-
Affinity DataIC50: 1.30E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471593(CHEMBL269227)
Show SMILES CCCCC\C=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C23H31NO2/c1-4-5-6-7-8-23(19-9-13-21(25)14-10-19)20-11-15-22(16-12-20)26-18-17-24(2)3/h8-16,25H,4-7,17-18H2,1-3H3/b23-8-
Affinity DataIC50: 1.50E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471600(CHEMBL12865)
Show SMILES CCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C24H33NO2/c1-4-7-8-9-24(20-10-14-22(26)15-11-20)21-12-16-23(17-13-21)27-19-18-25(5-2)6-3/h9-17,26H,4-8,18-19H2,1-3H3/b24-9+
Affinity DataIC50: 1.50E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471599(CHEMBL273902)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C\C(C)C)\c1ccc(O)cc1
Show InChI InChI=1S/C23H31NO2/c1-5-24(6-2)15-16-26-22-13-9-20(10-14-22)23(17-18(3)4)19-7-11-21(25)12-8-19/h7-14,17-18,25H,5-6,15-16H2,1-4H3/b23-17+
Affinity DataIC50: 1.70E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471601(CHEMBL12867)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C\Cc1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO2/c1-3-28(4-2)20-21-30-26-17-13-24(14-18-26)27(23-11-15-25(29)16-12-23)19-10-22-8-6-5-7-9-22/h5-9,11-19,29H,3-4,10,20-21H2,1-2H3/b27-19+
Affinity DataIC50: 1.70E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471595(CHEMBL13081)
Show SMILES CCCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C23H31NO2/c1-4-5-6-7-8-23(19-9-13-21(25)14-10-19)20-11-15-22(16-12-20)26-18-17-24(2)3/h8-16,25H,4-7,17-18H2,1-3H3/b23-8+
Affinity DataIC50: 1.80E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471603(CHEMBL13510)
Show SMILES CCCCCC\C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C26H37NO2/c1-4-7-8-9-10-11-26(22-12-16-24(28)17-13-22)23-14-18-25(19-15-23)29-21-20-27(5-2)6-3/h11-19,28H,4-10,20-21H2,1-3H3/b26-11-
Affinity DataIC50: 1.90E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471608(CHEMBL13167)
Show SMILES CC(C)N(CCOc1ccc(cc1)C(=C1CCCCC1)c1ccc(OCCN(C(C)C)C(C)C)cc1)C(C)C
Show InChI InChI=1S/C35H54N2O2/c1-26(2)36(27(3)4)22-24-38-33-18-14-31(15-19-33)35(30-12-10-9-11-13-30)32-16-20-34(21-17-32)39-25-23-37(28(5)6)29(7)8/h14-21,26-29H,9-13,22-25H2,1-8H3
Affinity DataIC50: 2.10E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471591(CHEMBL269420)
Show SMILES CCCCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C26H37NO2/c1-4-7-8-9-10-11-26(22-12-16-24(28)17-13-22)23-14-18-25(19-15-23)29-21-20-27(5-2)6-3/h11-19,28H,4-10,20-21H2,1-3H3/b26-11+
Affinity DataIC50: 2.50E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471594(CHEMBL13163)
Show SMILES CC(C)C=C(c1ccc(OCCN(C(C)C)C(C)C)cc1)c1ccc(OCCN(C(C)C)C(C)C)cc1
Show InChI InChI=1S/C33H52N2O2/c1-24(2)23-33(29-11-15-31(16-12-29)36-21-19-34(25(3)4)26(5)6)30-13-17-32(18-14-30)37-22-20-35(27(7)8)28(9)10/h11-18,23-28H,19-22H2,1-10H3
Affinity DataIC50: 3.10E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471606(CHEMBL13245)
Show SMILES CCCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C25H35NO2/c1-4-7-8-9-10-25(21-11-15-23(27)16-12-21)22-13-17-24(18-14-22)28-20-19-26(5-2)6-3/h10-18,27H,4-9,19-20H2,1-3H3/b25-10+
Affinity DataIC50: 3.20E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471602(CHEMBL12710)
Show SMILES CCCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C25H33NO2/c1-2-3-4-5-8-25(21-9-13-23(27)14-10-21)22-11-15-24(16-12-22)28-20-19-26-17-6-7-18-26/h8-16,27H,2-7,17-20H2,1H3/b25-8+
Affinity DataIC50: 3.30E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471589(CHEMBL276204)
Show SMILES CCCCCCCC\C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C28H41NO2/c1-4-7-8-9-10-11-12-13-28(24-14-18-26(30)19-15-24)25-16-20-27(21-17-25)31-23-22-29(5-2)6-3/h13-21,30H,4-12,22-23H2,1-3H3/b28-13-
Affinity DataIC50: 3.50E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471607(CHEMBL13490)
Show SMILES CCCCCCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C28H41NO2/c1-4-7-8-9-10-11-12-13-28(24-14-18-26(30)19-15-24)25-16-20-27(21-17-25)31-23-22-29(5-2)6-3/h13-21,30H,4-12,22-23H2,1-3H3/b28-13+
Affinity DataIC50: 4.70E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471590(CHEMBL13273)
Show SMILES CCCCCC=C(c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C31H48N2O2/c1-6-11-12-13-14-31(27-15-19-29(20-16-27)34-25-23-32(7-2)8-3)28-17-21-30(22-18-28)35-26-24-33(9-4)10-5/h14-22H,6-13,23-26H2,1-5H3
Affinity DataIC50: 6.00E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471597(CHEMBL12711)
Show SMILES CCCCCCCCCCCCCC\C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C34H53NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-34(30-20-24-32(36)25-21-30)31-22-26-33(27-23-31)37-29-28-35(5-2)6-3/h19-27,36H,4-18,28-29H2,1-3H3/b34-19-
Affinity DataIC50: 8.00E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEstrogen receptor beta(Homo sapiens (Human))
Universit£ de Versailles/St. Quentin-en-Yvelines

Curated by ChEMBL
LigandPNGBDBM50471596(CHEMBL13494)
Show SMILES CCCCCCCCCCCCCC\C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C34H53NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-34(30-20-24-32(36)25-21-30)31-22-26-33(27-23-31)37-29-28-35(5-2)6-3/h19-27,36H,4-18,28-29H2,1-3H3/b34-19+
Affinity DataIC50: 9.50E+3nMAssay Description:Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid