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Compile Data Set for Download or QSAR

Found 1345 hits of ic50 data for polymerid = 2894,5642   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50525968
PNG
(CHEMBL4457145)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H16F3NO4S2/c1-13-5-7-16(8-6-13)34(31,32)28-15-4-2-3-14(11-15)19-9-10-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3
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n/an/a 0.100n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50525969
PNG
(CHEMBL4529443)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H16F3NO4S2/c1-13-4-2-7-16(10-13)34(31,32)28-15-6-3-5-14(11-15)19-8-9-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525969
PNG
(CHEMBL4529443)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H16F3NO4S2/c1-13-4-2-7-16(10-13)34(31,32)28-15-6-3-5-14(11-15)19-8-9-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525968
PNG
(CHEMBL4457145)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H16F3NO4S2/c1-13-5-7-16(8-6-13)34(31,32)28-15-4-2-3-14(11-15)19-9-10-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466033
PNG
(CHEMBL4293115)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-6-5-12(24-13)8-1-3-9(21)4-2-8/h1-7,21,23H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50466018
PNG
(CHEMBL4283851)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H9Cl2F3O3S/c1-26-18-9(19)4-7(5-10(18)20)12-2-3-13(27-12)16(24)8-6-11(21)15(23)17(25)14(8)22/h2-6,25H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525964
PNG
(CHEMBL4546082)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1F
Show InChI InChI=1S/C23H13ClF3NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525962
PNG
(CHEMBL4464314)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)c1F
Show InChI InChI=1S/C23H13ClF3NO4S2/c24-13-4-2-6-15(10-13)34(31,32)28-14-5-1-3-12(9-14)18-7-8-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
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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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50516202
PNG
(CHEMBL4454887)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(Cl)ccc(O)c1F
Show InChI InChI=1S/C18H10Cl3FO3S/c1-25-18-10(20)6-8(7-11(18)21)13-4-5-14(26-13)17(24)15-9(19)2-3-12(23)16(15)22/h2-7,23H,1H3
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
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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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50515441
PNG
(CHEMBL4466918)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-17-11-16(21(26)24(31)22(17)27)23(30)19-9-8-18(34-19)13-5-3-6-15(10-13)29-35(32,33)20-7-2-1-4-14(20)12-28/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50515435
PNG
(CHEMBL4513439)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)c1F
Show InChI InChI=1S/C23H11F6NO4S2/c24-10-1-3-11(4-2-10)36(33,34)30-17-8-12(14(25)9-15(17)26)18-5-6-19(35-18)22(31)13-7-16(27)21(29)23(32)20(13)28/h1-9,30,32H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466021
PNG
(CHEMBL4295076)
Show SMILES Oc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50525964
PNG
(CHEMBL4546082)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1F
Show InChI InChI=1S/C23H13ClF3NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50525962
PNG
(CHEMBL4464314)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)c1F
Show InChI InChI=1S/C23H13ClF3NO4S2/c24-13-4-2-6-15(10-13)34(31,32)28-14-5-1-3-12(9-14)18-7-8-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466032
PNG
(CHEMBL4276934)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2)c1F
Show InChI InChI=1S/C17H9F3O2S/c18-11-8-10(14(19)17(22)15(11)20)16(21)13-7-6-12(23-13)9-4-2-1-3-5-9/h1-8,22H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525971
PNG
(CHEMBL4574253)
Show SMILES Oc1cccc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H16ClNO4S2/c24-22-18(10-5-11-19(22)26)23(27)21-13-12-20(30-21)15-6-4-7-16(14-15)25-31(28,29)17-8-2-1-3-9-17/h1-14,25-26H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50515433
PNG
(CHEMBL4585585)
Show SMILES Cc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H15F4NO4S2/c1-12-2-3-13(10-18(12)29-35(32,33)15-6-4-14(25)5-7-15)19-8-9-20(34-19)23(30)16-11-17(26)22(28)24(31)21(16)27/h2-11,29,31H,1H3
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466020
PNG
(CHEMBL4293119)
Show SMILES COc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c1-24-12-5-3-2-4-9(12)13-6-7-14(25-13)17(22)10-8-11(19)16(21)18(23)15(10)20/h2-8,23H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50515441
PNG
(CHEMBL4466918)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-17-11-16(21(26)24(31)22(17)27)23(30)19-9-8-18(34-19)13-5-3-6-15(10-13)29-35(32,33)20-7-2-1-4-14(20)12-28/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466012
PNG
(CHEMBL4287575)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466034
PNG
(CHEMBL4284771)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,21,23H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50266402
PNG
(CHEMBL4071245)
Show SMILES NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H10ClF2NO5S2/c18-9-7-8(1-4-12(9)26-28(21,24)25)13-5-6-14(27-13)17(23)15-10(19)2-3-11(22)16(15)20/h1-7,22H,(H2,21,24,25)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method


J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466012
PNG
(CHEMBL4287575)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50515446
PNG
(CHEMBL4441152)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50515446
PNG
(CHEMBL4441152)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50515446
PNG
(CHEMBL4441152)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50466008
PNG
(CHEMBL4290218)
Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C20H15F3O3S/c1-9-6-11(7-10(2)20(9)26-3)14-4-5-15(27-14)18(24)12-8-13(21)17(23)19(25)16(12)22/h4-8,25H,1-3H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50515446
PNG
(CHEMBL4441152)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466027
PNG
(CHEMBL4292910)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H
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n/an/a 1.30n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50266400
PNG
(CHEMBL4072794)
Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1Cl
Show InChI InChI=1S/C17H9ClF3NO5S2/c18-14-10(27-29(22,25)26)4-1-7(15(14)20)11-5-6-12(28-11)17(24)13-8(19)2-3-9(23)16(13)21/h1-6,23H,(H2,22,25,26)
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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 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method


J Med Chem 60: 4086-4092 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00062
BindingDB Entry DOI: 10.7270/Q2J968VG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50525963
PNG
(CHEMBL4582194)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1F
Show InChI InChI=1S/C23H15F2NO4S2/c24-17-9-10-18(27)22(25)21(17)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50515448
PNG
(CHEMBL4459275)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-8-7-19(34-20)14-4-2-5-15(10-14)29-35(32,33)16-6-1-3-13(9-16)12-28/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525966
PNG
(CHEMBL4552641)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO4S2/c25-16-11-14(20(26)23(33)21(16)27)22(32)18-9-8-17(36-18)12-4-3-5-13(10-12)31-37(34,35)19-7-2-1-6-15(19)24(28,29)30/h1-11,31,33H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
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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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
BindingDB Entry DOI: 10.7270/Q2WS8WH4
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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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
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