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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'börger' and Initial = 'c'   
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
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232174
PNG
(CHEMBL4063985)
Show SMILES Cc1cc(cc(Cl)c1O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H11ClF2O3S/c1-8-6-9(7-10(19)17(8)23)13-4-5-14(25-13)18(24)15-11(20)2-3-12(22)16(15)21/h2-7,22-23H,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232109
PNG
(CHEMBL4103524)
Show SMILES COc1c(C)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C19H13ClF2O3S/c1-9-7-10(8-11(20)19(9)25-2)14-5-6-15(26-14)18(24)16-12(21)3-4-13(23)17(16)22/h3-8,23H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232150
PNG
(CHEMBL4101264)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C19H14F2O3S/c1-9-7-11(8-10(2)18(9)23)14-5-6-15(25-14)19(24)16-12(20)3-4-13(22)17(16)21/h3-8,22-23H,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232169
PNG
(CHEMBL4063839)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H9ClF2O3S/c18-9-7-8(1-3-11(9)21)13-5-6-14(24-13)17(23)15-10(19)2-4-12(22)16(15)20/h1-7,21-22H
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232163
PNG
(CHEMBL4079675)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H10Cl2F2O3S/c1-25-18-9(19)6-8(7-10(18)20)13-4-5-14(26-13)17(24)15-11(21)2-3-12(23)16(15)22/h2-7,23H,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232177
PNG
(CHEMBL4077264)
Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C20H16F2O3S/c1-10-8-12(9-11(2)20(10)25-3)15-6-7-16(26-15)19(24)17-13(21)4-5-14(23)18(17)22/h4-9,23H,1-3H3
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n/an/a 0.900n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232151
PNG
(CHEMBL4099360)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(Cl)c2)c1F
Show InChI InChI=1S/C17H9ClF2O2S/c18-10-3-1-2-9(8-10)13-6-7-14(23-13)17(22)15-11(19)4-5-12(21)16(15)20/h1-8,21H
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n/an/a 1.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232147
PNG
(CHEMBL4062959)
Show SMILES COc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232146
PNG
(CHEMBL4092593)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H
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n/an/a 1.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232158
PNG
(CHEMBL4062685)
Show SMILES COc1c(Cl)cc(cc1CN1CCN(CC1)C(C)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C25H23ClF2N2O4S/c1-14(31)30-9-7-29(8-10-30)13-16-11-15(12-17(26)25(16)34-2)20-5-6-21(35-20)24(33)22-18(27)3-4-19(32)23(22)28/h3-6,11-12,32H,7-10,13H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232175
PNG
(CHEMBL4060257)
Show SMILES CC(=O)N1CCN(Cc2cc(cc(Cl)c2O)-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)CC1
Show InChI InChI=1S/C24H21ClF2N2O4S/c1-13(30)29-8-6-28(7-9-29)12-15-10-14(11-16(25)23(15)32)19-4-5-20(34-19)24(33)21-17(26)2-3-18(31)22(21)27/h2-5,10-11,31-32H,6-9,12H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232162
PNG
(CHEMBL4082298)
Show SMILES COc1c(Cl)cc(cc1Cn1ccnn1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H14ClF2N3O3S/c1-30-21-12(10-27-7-6-25-26-27)8-11(9-13(21)22)16-4-5-17(31-16)20(29)18-14(23)2-3-15(28)19(18)24/h2-9,28H,10H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232176
PNG
(CHEMBL4091749)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cc(Cl)c(O)c(Cl)c2)c1F
Show InChI InChI=1S/C17H8Cl2F2O3S/c18-8-5-7(6-9(19)16(8)23)12-3-4-13(25-12)17(24)14-10(20)1-2-11(22)15(14)21/h1-6,22-23H
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n/an/a 2.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232166
PNG
(CHEMBL4071588)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10F2O3S/c18-11-5-6-12(21)16(19)15(11)17(22)14-8-7-13(23-14)9-1-3-10(20)4-2-9/h1-8,20-21H
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n/an/a 3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232167
PNG
(CHEMBL4088861)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(O)c(c2)C#N)c1F
Show InChI InChI=1S/C18H9F2NO3S/c19-11-2-4-13(23)17(20)16(11)18(24)15-6-5-14(25-15)9-1-3-12(22)10(7-9)8-21/h1-7,22-23H
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n/an/a 3.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232172
PNG
(CHEMBL4080385)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H8F4O2S/c18-8-1-2-9(11(20)7-8)13-5-6-14(24-13)17(23)15-10(19)3-4-12(22)16(15)21/h1-7,22H
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n/an/a 3.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232159
PNG
(CHEMBL4091053)
Show SMILES COc1c(Cl)cc(cc1CN1CCNCC1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C23H21ClF2N2O3S/c1-31-23-14(12-28-8-6-27-7-9-28)10-13(11-15(23)24)18-4-5-19(32-18)22(30)20-16(25)2-3-17(29)21(20)26/h2-5,10-11,27,29H,6-9,12H2,1H3
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n/an/a 4.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232110
PNG
(CHEMBL4089862)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-18-13(19)8-11(9-14(18)20)15-5-6-16(24-15)17(22)10-3-2-4-12(21)7-10/h2-9,21H,1H3
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n/an/a 6n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232174
PNG
(CHEMBL4063985)
Show SMILES Cc1cc(cc(Cl)c1O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H11ClF2O3S/c1-8-6-9(7-10(19)17(8)23)13-4-5-14(25-13)18(24)15-11(20)2-3-12(22)16(15)21/h2-7,22-23H,1H3
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n/an/a 6.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232150
PNG
(CHEMBL4101264)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C19H14F2O3S/c1-9-7-11(8-10(2)18(9)23)14-5-6-15(25-14)19(24)16-12(20)3-4-13(22)17(16)21/h3-8,22-23H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232146
PNG
(CHEMBL4092593)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H
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n/an/a 7.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232109
PNG
(CHEMBL4103524)
Show SMILES COc1c(C)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C19H13ClF2O3S/c1-9-7-10(8-11(20)19(9)25-2)14-5-6-15(26-14)18(24)16-12(21)3-4-13(23)17(16)22/h3-8,23H,1-2H3
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n/an/a 7.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232164
PNG
(CHEMBL4073469)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H15F2NO3S/c1-11(2)27-16-6-3-12(9-13(16)10-24)17-7-8-18(28-17)21(26)19-14(22)4-5-15(25)20(19)23/h3-9,11,25H,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232162
PNG
(CHEMBL4082298)
Show SMILES COc1c(Cl)cc(cc1Cn1ccnn1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H14ClF2N3O3S/c1-30-21-12(10-27-7-6-25-26-27)8-11(9-13(21)22)16-4-5-17(31-16)20(29)18-14(23)2-3-15(28)19(18)24/h2-9,28H,10H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232172
PNG
(CHEMBL4080385)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H8F4O2S/c18-8-1-2-9(11(20)7-8)13-5-6-14(24-13)17(23)15-10(19)3-4-12(22)16(15)21/h1-7,22H
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n/an/a 9n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232151
PNG
(CHEMBL4099360)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(Cl)c2)c1F
Show InChI InChI=1S/C17H9ClF2O2S/c18-10-3-1-2-9(8-10)13-6-7-14(23-13)17(22)15-11(19)4-5-12(21)16(15)20/h1-8,21H
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n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232175
PNG
(CHEMBL4060257)
Show SMILES CC(=O)N1CCN(Cc2cc(cc(Cl)c2O)-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)CC1
Show InChI InChI=1S/C24H21ClF2N2O4S/c1-13(30)29-8-6-28(7-9-29)12-15-10-14(11-16(25)23(15)32)19-4-5-20(34-19)24(33)21-17(26)2-3-18(31)22(21)27/h2-5,10-11,31-32H,6-9,12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232147
PNG
(CHEMBL4062959)
Show SMILES COc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3
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n/an/a 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232173
PNG
(CHEMBL4083849)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccccc2)c1F
Show InChI InChI=1S/C17H10F2O2S/c18-11-6-7-12(20)16(19)15(11)17(21)14-9-8-13(22-14)10-4-2-1-3-5-10/h1-9,20H
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n/an/a 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232177
PNG
(CHEMBL4077264)
Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C20H16F2O3S/c1-10-8-12(9-11(2)20(10)25-3)15-6-7-16(26-15)19(24)17-13(21)4-5-14(23)18(17)22/h4-9,23H,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232107
PNG
(CHEMBL4077041)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cc(Cl)c(O)c(Cn3ccnn3)c2)c1F
Show InChI InChI=1S/C20H12ClF2N3O3S/c21-12-8-10(7-11(19(12)28)9-26-6-5-24-25-26)15-3-4-16(30-15)20(29)17-13(22)1-2-14(27)18(17)23/h1-8,27-28H,9H2
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n/an/a 18n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232108
PNG
(CHEMBL4072426)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H12F2O3S/c1-23-11-4-2-10(3-5-11)14-8-9-15(24-14)18(22)16-12(19)6-7-13(21)17(16)20/h2-9,21H,1H3
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n/an/a 18n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232164
PNG
(CHEMBL4073469)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H15F2NO3S/c1-11(2)27-16-6-3-12(9-13(16)10-24)17-7-8-18(28-17)21(26)19-14(22)4-5-15(25)20(19)23/h3-9,11,25H,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232169
PNG
(CHEMBL4063839)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H9ClF2O3S/c18-9-7-8(1-3-11(9)21)13-5-6-14(24-13)17(23)15-10(19)2-4-12(22)16(15)20/h1-7,21-22H
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232158
PNG
(CHEMBL4062685)
Show SMILES COc1c(Cl)cc(cc1CN1CCN(CC1)C(C)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C25H23ClF2N2O4S/c1-14(31)30-9-7-29(8-10-30)13-16-11-15(12-17(26)25(16)34-2)20-5-6-21(35-20)24(33)22-18(27)3-4-19(32)23(22)28/h3-6,11-12,32H,7-10,13H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232107
PNG
(CHEMBL4077041)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cc(Cl)c(O)c(Cn3ccnn3)c2)c1F
Show InChI InChI=1S/C20H12ClF2N3O3S/c21-12-8-10(7-11(19(12)28)9-26-6-5-24-25-26)15-3-4-16(30-15)20(29)17-13(22)1-2-14(27)18(17)23/h1-8,27-28H,9H2
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n/an/a 26n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232159
PNG
(CHEMBL4091053)
Show SMILES COc1c(Cl)cc(cc1CN1CCNCC1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C23H21ClF2N2O3S/c1-31-23-14(12-28-8-6-27-7-9-28)10-13(11-15(23)24)18-4-5-19(32-18)22(30)20-16(25)2-3-17(29)21(20)26/h2-5,10-11,27,29H,6-9,12H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232160
PNG
(CHEMBL4061631)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(Cl)c2O)c1F
Show InChI InChI=1S/C17H9ClF2O3S/c18-9-3-1-2-8(16(9)22)12-6-7-13(24-12)17(23)14-10(19)4-5-11(21)15(14)20/h1-7,21-22H
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n/an/a 27n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232168
PNG
(CHEMBL4101849)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccnc2)c1F
Show InChI InChI=1S/C16H9F2NO2S/c17-10-3-4-11(20)15(18)14(10)16(21)13-6-5-12(22-13)9-2-1-7-19-8-9/h1-8,20H
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n/an/a 27n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232160
PNG
(CHEMBL4061631)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(Cl)c2O)c1F
Show InChI InChI=1S/C17H9ClF2O3S/c18-9-3-1-2-8(16(9)22)12-6-7-13(24-12)17(23)14-10(19)4-5-11(21)15(14)20/h1-7,21-22H
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n/an/a 29n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232167
PNG
(CHEMBL4088861)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(O)c(c2)C#N)c1F
Show InChI InChI=1S/C18H9F2NO3S/c19-11-2-4-13(23)17(20)16(11)18(24)15-6-5-14(25-15)9-1-3-12(22)10(7-9)8-21/h1-7,22-23H
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n/an/a 29n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232173
PNG
(CHEMBL4083849)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccccc2)c1F
Show InChI InChI=1S/C17H10F2O2S/c18-11-6-7-12(20)16(19)15(11)17(21)14-9-8-13(22-14)10-4-2-1-3-5-10/h1-9,20H
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PubMed
n/an/a 35n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232108
PNG
(CHEMBL4072426)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H12F2O3S/c1-23-11-4-2-10(3-5-11)14-8-9-15(24-14)18(22)16-12(19)6-7-13(21)17(16)20/h2-9,21H,1H3
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n/an/a 38n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232161
PNG
(CHEMBL4091622)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccncc2)c1F
Show InChI InChI=1S/C16H9F2NO2S/c17-10-1-2-11(20)15(18)14(10)16(21)13-4-3-12(22-13)9-5-7-19-8-6-9/h1-8,20H
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n/an/a 39n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232176
PNG
(CHEMBL4091749)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cc(Cl)c(O)c(Cl)c2)c1F
Show InChI InChI=1S/C17H8Cl2F2O3S/c18-8-5-7(6-9(19)16(8)23)12-3-4-13(25-12)17(24)14-10(20)1-2-11(22)15(14)21/h1-6,22-23H
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n/an/a 39n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232163
PNG
(CHEMBL4079675)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H10Cl2F2O3S/c1-25-18-9(19)6-8(7-10(18)20)13-4-5-14(26-13)17(24)15-11(21)2-3-12(23)16(15)22/h2-7,23H,1H3
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n/an/a 41n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232170
PNG
(CHEMBL4071808)
Show SMILES Oc1cccc(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H9F3O2S/c18-9-4-5-10(12(19)8-9)14-6-7-15(23-14)17(22)11-2-1-3-13(21)16(11)20/h1-8,21H
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PubMed
n/an/a 47n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232168
PNG
(CHEMBL4101849)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccnc2)c1F
Show InChI InChI=1S/C16H9F2NO2S/c17-10-3-4-11(20)15(18)14(10)16(21)13-6-5-12(22-13)9-2-1-7-19-8-9/h1-8,20H
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n/an/a 47n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232165
PNG
(CHEMBL4067584)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO4S2/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(25-14)9-2-1-3-10(8-9)26(20,23)24/h1-8,21H,(H2,20,23,24)
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PubMed
n/an/a 55n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232170
PNG
(CHEMBL4071808)
Show SMILES Oc1cccc(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H9F3O2S/c18-9-4-5-10(12(19)8-9)14-6-7-15(23-14)17(22)11-2-1-3-13(21)16(11)20/h1-8,21H
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Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
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