Compile Data Set for Download or QSAR
Found 20 Enz. Inhib. hit(s) with all data for entry = 50035139
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM19459(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Affinity DataKi:  24nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
Affinity DataKi:  300nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50101979(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
Affinity DataKi:  310nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM19459(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Affinity DataKi:  370nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50101979(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
Affinity DataKi:  690nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Affinity DataKi:  770nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50366683(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Affinity DataKi:  5.70E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50366683(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM19459(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Affinity DataIC50: 83nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50101979(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM19459(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50101979(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50366683(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50366683(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair