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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'gargano' and Initial = 'em'   
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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126973
PNG
(CHEMBL3629587)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
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n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126971
PNG
(CHEMBL3629585)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13BrF5NO5S2/c25-13-4-9-20(17(11-13)36-24(28,29)30)38(34,35)31-14-3-1-2-12(10-14)18-7-8-19(37-18)23(33)21-15(26)5-6-16(32)22(21)27/h1-11,31-32H
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n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126976
PNG
(CHEMBL3629590)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)C3CC3)c2)c1F
Show InChI InChI=1S/C20H15F2NO4S2/c21-14-6-7-15(24)19(22)18(14)20(25)17-9-8-16(28-17)11-2-1-3-12(10-11)23-29(26,27)13-4-5-13/h1-3,6-10,13,23-24H,4-5H2
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n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587607
PNG
(CHEMBL5089787)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(O)c(Cl)c1)c1ccccc1C
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TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 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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n/an/a 2.70n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587609
PNG
(CHEMBL5090458)
Show SMILES CN(C(=O)c1ccc(o1)-c1cc(Cl)c(O)c(Cl)c1)c1ccccc1C
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126972
PNG
(CHEMBL3629586)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H
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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 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 1


(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 4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126977
PNG
(CHEMBL3629591)
Show SMILES Cc1cc(NS(=O)(=O)C2CC2)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587601
PNG
(CHEMBL5080299)
Show SMILES CN(C(=O)c1ccc(o1)-c1cc(C)c(O)c(C)c1)c1ccccc1C
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(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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n/an/a 6n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126973
PNG
(CHEMBL3629587)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
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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 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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126976
PNG
(CHEMBL3629590)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)C3CC3)c2)c1F
Show InChI InChI=1S/C20H15F2NO4S2/c21-14-6-7-15(24)19(22)18(14)20(25)17-9-8-16(28-17)11-2-1-3-12(10-11)23-29(26,27)13-4-5-13/h1-3,6-10,13,23-24H,4-5H2
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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 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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126977
PNG
(CHEMBL3629591)
Show SMILES Cc1cc(NS(=O)(=O)C2CC2)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3
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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 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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50299643
PNG
(2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol |...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C16H11FO2S/c17-13-9-11(4-5-14(13)19)16-7-6-15(20-16)10-2-1-3-12(18)8-10/h1-9,18-19H
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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 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50330999
PNG
(CHEMBL1277708 | [5-(4-Hydroxy-3-methylphenyl)-2-th...)
Show SMILES Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-9-12(5-6-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)10-13/h2-10,19-20H,1H3
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n/an/a 8n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126983
PNG
(CHEMBL3629439)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c1
Show InChI InChI=1S/C24H15BrF3NO5S2/c25-16-7-10-22(19(13-16)34-24(26,27)28)36(32,33)29-17-5-1-3-14(11-17)20-8-9-21(35-20)23(31)15-4-2-6-18(30)12-15/h1-13,29-30H
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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 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587600
PNG
(CHEMBL5076534)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(O)c(C)c1)c1ccccc1C
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TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126970
PNG
(CHEMBL3629584)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
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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 cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587606
PNG
(CHEMBL5078630)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(O)c(F)c1)c1ccccc1C
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TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126999
PNG
(CHEMBL3629593)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H19NO4S2/c1-16-8-10-21(11-9-16)31(28,29)25-19-6-2-4-17(14-19)22-12-13-23(30-22)24(27)18-5-3-7-20(26)15-18/h2-15,25-26H,1H3
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n/an/a 12n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50127002
PNG
(CHEMBL3629595)
Show SMILES Oc1cccc(c1)C(=O)c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C15H10O3S/c16-11-3-1-2-10(6-11)15(18)14-7-9-4-5-12(17)8-13(9)19-14/h1-8,16-17H
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n/an/a 12n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126972
PNG
(CHEMBL3629586)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H
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n/an/a 13n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50396084
PNG
(CHEMBL2170750)
Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H
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n/an/a 13n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126986
PNG
(CHEMBL3629442)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C23H17NO5S2/c25-18-7-2-5-16(13-18)23(27)22-11-10-21(30-22)15-4-1-6-17(12-15)24-31(28,29)20-9-3-8-19(26)14-20/h1-14,24-26H
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126971
PNG
(CHEMBL3629585)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13BrF5NO5S2/c25-13-4-9-20(17(11-13)36-24(28,29)30)38(34,35)31-14-3-1-2-12(10-14)18-7-8-19(37-18)23(33)21-15(26)5-6-16(32)22(21)27/h1-11,31-32H
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n/an/a 17n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126966
PNG
(CHEMBL3629458)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H19NO4S2/c1-16-6-2-3-11-23(16)31(28,29)25-19-9-4-7-17(14-19)21-12-13-22(30-21)24(27)18-8-5-10-20(26)15-18/h2-15,25-26H,1H3
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n/an/a 17n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587608
PNG
(CHEMBL5087553)
Show SMILES CN(C(=O)c1ccc(o1)-c1cc(F)c(O)c(F)c1)c1ccccc1C
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TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126967
PNG
(CHEMBL3629581)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H19NO4S2/c1-16-5-2-10-21(13-16)31(28,29)25-19-8-3-6-17(14-19)22-11-12-23(30-22)24(27)18-7-4-9-20(26)15-18/h2-15,25-26H,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 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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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 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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50261942
PNG
(6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol | CHEMBL46...)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccccc1
Show InChI InChI=1S/C22H16O2/c23-19-8-4-7-16(14-19)17-9-11-20-18(13-17)10-12-21(24)22(20)15-5-2-1-3-6-15/h1-14,23-24H
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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 cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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


(Mus musculus)
BDBM50126973
PNG
(CHEMBL3629587)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50330993
PNG
((4-fluoro-3-hydroxyphenyl)(5-(4-hydroxyphenyl)thio...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-6-3-11(9-14(13)20)17(21)16-8-7-15(22-16)10-1-4-12(19)5-2-10/h1-9,19-20H
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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 cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50385880
PNG
(CHEMBL2041368)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C29H20N2O4S/c30-18-19-4-1-9-26(14-19)36(34,35)31-24-7-2-6-23(16-24)29-27-12-10-21(15-22(27)11-13-28(29)33)20-5-3-8-25(32)17-20/h1-17,31-33H
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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 cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126982
PNG
(CHEMBL3629438)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H17NO4S2/c25-19-9-5-7-17(15-19)23(26)22-13-12-21(29-22)16-6-4-8-18(14-16)24-30(27,28)20-10-2-1-3-11-20/h1-15,24-25H
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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 cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587605
PNG
(CHEMBL5089172)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(O)cc1F)c1ccccc1C
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126984
PNG
(CHEMBL3629440)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C24H16N2O4S2/c25-15-16-4-1-9-21(12-16)32(29,30)26-19-7-2-5-17(13-19)22-10-11-23(31-22)24(28)18-6-3-8-20(27)14-18/h1-14,26-27H
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n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50360228
PNG
(CHEMBL1928181)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc(cc1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C19H12ClFO3/c20-15-9-13(6-8-17(15)22)11-1-3-12(4-2-11)19(24)14-5-7-16(21)18(23)10-14/h1-10,22-23H
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n/an/a 24n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50126970
PNG
(CHEMBL3629584)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
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n/an/a 25n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50396080
PNG
(CHEMBL2170754)
Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3
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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 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126997
PNG
(CHEMBL3629452)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H16FNO4S2/c24-17-7-9-20(10-8-17)31(28,29)25-18-5-1-3-15(13-18)21-11-12-22(30-21)23(27)16-4-2-6-19(26)14-16/h1-14,25-26H
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50360229
PNG
(CHEMBL1928182)
Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1cc(O)cc(F)c1
Show InChI InChI=1S/C20H15FO3/c1-12-8-15(6-7-19(12)23)13-2-4-14(5-3-13)20(24)16-9-17(21)11-18(22)10-16/h2-11,22-23H,1H3
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n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587602
PNG
(CHEMBL5084876)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(O)cc1C)c1ccccc1C
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TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50587604
PNG
(CHEMBL5074435)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(O)cc1Cl)c1ccccc1C
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00462
BindingDB Entry DOI: 10.7270/Q23B642T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126991
PNG
(CHEMBL3629446)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)c1
Show InChI InChI=1S/C23H16N2O6S2/c26-18-8-4-6-16(14-18)23(27)21-12-11-20(32-21)15-5-3-7-17(13-15)24-33(30,31)22-10-2-1-9-19(22)25(28)29/h1-14,24,26H
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n/an/a 32n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50126988
PNG
(CHEMBL3629443)
Show SMILES Oc1cccc(c1)C(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H17NO4S/c26-19-8-2-5-16(13-19)23(28)22-11-10-21(30-22)15-4-1-7-18(12-15)25-24(29)17-6-3-9-20(27)14-17/h1-14,26-27H,(H,25,29)
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n/an/a 33n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50028620
PNG
(CHEMBL3342516)
Show SMILES CN(C(=O)c1ccc(s1)-c1ccc(C)c(C)c1)c1ccc(C)cc1
Show InChI InChI=1S/C21H21NOS/c1-14-5-9-18(10-6-14)22(4)21(23)20-12-11-19(24-20)17-8-7-15(2)16(3)13-17/h5-13H,1-4H3
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n/an/a 33n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 after 20 mins by cell-free assay


Eur J Med Chem 87: 203-19 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.061
BindingDB Entry DOI: 10.7270/Q2F1919V
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50360227
PNG
(CHEMBL1928180)
Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3
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n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
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