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Compile Data Set for Download or QSAR

Found 698 hits Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2'   
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 2


(Homo sapiens (Human))
BDBM50366340
PNG
(CHEMBL514046)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCC(=O)O1
Show InChI InChI=1S/C21H26O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h3,5,12,16-18,22H,2,4,6-11H2,1H3/t16-,17-,18+,20+,21-/m1/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2)


Bioorg Med Chem Lett 4: 2045-2048 (1994)


Article DOI: 10.1016/S0960-894X(01)80560-6
BindingDB Entry DOI: 10.7270/Q2PK0GN0
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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n/an/a 0.200n/an/an/an/an/an/a



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))
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 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 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 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))
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 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 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 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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n/an/a 1n/an/an/an/an/an/a



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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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))
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 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))
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))
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 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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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))
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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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))
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))
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))
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 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
Estradiol 17-beta-dehydrogenase 2


(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 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))
BDBM50466011
PNG
(CHEMBL4283199)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c1-24-10-4-2-3-9(7-10)13-5-6-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)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))
BDBM50525970
PNG
(CHEMBL4450585)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H12BrF6NO5S2/c25-12-4-7-19(16(9-12)37-24(29,30)31)39(35,36)32-13-3-1-2-11(8-13)17-5-6-18(38-17)22(33)14-10-15(26)21(28)23(34)20(14)27/h1-10,32,34H
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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))
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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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))
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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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))
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(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))
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(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: 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))
BDBM50466031
PNG
(CHEMBL4276985)
Show SMILES Nc1cc(cc(F)c1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8F5NO2S/c18-8-3-6(4-10(23)14(8)21)11-1-2-12(26-11)16(24)7-5-9(19)15(22)17(25)13(7)20/h1-5,25H,23H2
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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))
BDBM50466015
PNG
(CHEMBL4291052)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c1-24-10-4-2-9(3-5-10)13-6-7-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)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))
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 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))
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human using MDA-MB-231 cells using [3H]-E2 as substrate after 6 hrs by cell-based assay


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))
BDBM50466030
PNG
(CHEMBL4291714)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8ClF3O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H
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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
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
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 mouse liver homogenate 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))
BDBM50126975
PNG
(CHEMBL3629589)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H15F2N3O4S2/c1-26-10-18(24-11-26)32(29,30)25-13-4-2-3-12(9-13)16-7-8-17(31-16)21(28)19-14(22)5-6-15(27)20(19)23/h2-11,25,27H,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466010
PNG
(CHEMBL4286141)
Show SMILES Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8F4O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H
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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
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525972
PNG
(CHEMBL4459887)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H15ClFNO4S2/c24-22-18(27)10-9-17(25)21(22)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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n/an/a 2.70n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 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))
BDBM50515432
PNG
(CHEMBL4447938)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-9-8-19(34-20)14-2-1-3-15(10-14)29-35(32,33)16-6-4-13(12-28)5-7-16/h1-11,29,31H
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n/an/a 2.90n/an/an/an/an/an/a



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))
BDBM50515443
PNG
(CHEMBL4443578)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(F)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H12F5NO4S2/c24-12-2-4-13(5-3-12)35(32,33)29-17-9-11(1-6-15(17)25)18-7-8-19(34-18)22(30)14-10-16(26)21(28)23(31)20(14)27/h1-10,29,31H
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n/an/a 2.90n/an/an/an/an/an/a



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))
BDBM50466029
PNG
(CHEMBL4286097)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3cccnc3c2)c1F
Show InChI InChI=1S/C20H10F3NO2S/c21-13-9-12(17(22)20(26)18(13)23)19(25)16-6-5-15(27-16)11-4-3-10-2-1-7-24-14(10)8-11/h1-9,26H
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n/an/a 3.10n/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 2


(Homo sapiens (Human))
BDBM50466013
PNG
(CHEMBL4277596)
Show SMILES Nc1cc(ccc1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H10F3NO3S/c18-9-6-8(14(19)17(24)15(9)20)16(23)13-4-3-12(25-13)7-1-2-11(22)10(21)5-7/h1-6,22,24H,21H2
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n/an/a 3.40n/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 2


(Homo sapiens (Human))
BDBM50515451
PNG
(CHEMBL4584616)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)c1F
Show InChI InChI=1S/C22H10ClF5N2O4S2/c23-18-4-1-9(8-29-18)36(33,34)30-15-6-10(12(24)7-13(15)25)16-2-3-17(35-16)21(31)11-5-14(26)20(28)22(32)19(11)27/h1-8,30,32H
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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))
BDBM50515439
PNG
(CHEMBL4450450)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H12F3NO4S2/c1-28(25,26)22-10-4-2-3-9(7-10)13-5-6-14(27-13)17(23)11-8-12(19)16(21)18(24)15(11)20/h2-8,22,24H,1H3
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n/an/a 3.60n/an/an/an/an/an/a



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))
BDBM50126974
PNG
(CHEMBL3629588)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccnc3)c2)c1F
Show InChI InChI=1S/C22H14F2N2O4S2/c23-16-6-7-17(27)21(24)20(16)22(28)19-9-8-18(31-19)13-3-1-4-14(11-13)26-32(29,30)15-5-2-10-25-12-15/h1-12,26-27H
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n/an/a 3.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50466014
PNG
(CHEMBL4282320)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3cc[nH]c3c2)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)10-2-1-9-5-6-23-13(9)7-10/h1-8,23,25H
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n/an/a 3.80n/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 2


(Homo sapiens (Human))
BDBM50466022
PNG
(CHEMBL4279043)
Show SMILES Nc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H10F3NO2S/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/h1-7,23H,21H2
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n/an/a 4n/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
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