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9 similar compounds to monomer 50330994

Compile data set for download or QSAR
Wt: 296.3
BDBM50330988
Wt: 296.3
BDBM50330991
Wt: 314.3
BDBM50330993
Wt: 310.3
BDBM50330996
Wt: 314.3
BDBM50330997
Wt: 314.3
BDBM50330998
Wt: 314.3
BDBM50331000
Wt: 312.3
BDBM50331003
Wt: 310.3
BDBM50023154

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50330988,50330991,50330993,50330996,50330997,50330998,50331000,50331003,50023154   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
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n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50331003
PNG
((5-(3,4-dihydroxyphenyl)thiophen-2-yl)(3-hydroxyph...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H12O4S/c18-12-3-1-2-11(8-12)17(21)16-7-6-15(22-16)10-4-5-13(19)14(20)9-10/h1-9,18-20H
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n/an/a 590n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
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n/an/a 109n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50023154
PNG
(CHEMBL3298952)
Show SMILES OCc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c19-11-12-4-6-13(7-5-12)16-8-9-17(22-16)18(21)14-2-1-3-15(20)10-14/h1-10,19-20H,11H2
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n/an/a 202n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330991
PNG
((3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,18-19H
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n/an/a 33n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330996
PNG
((5-(3-hydroxy-4-methylphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Cc1ccc(cc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-5-6-12(10-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)9-13/h2-10,19-20H,1H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330997
PNG
((5-(4-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-5-4-10(9-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330991
PNG
((3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,18-19H
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using [2,4,6,7-3H]-estrone as substrate after 30 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330998
PNG
((5-(2-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1F
Show InChI InChI=1S/C17H11FO3S/c18-16-12(5-2-6-13(16)20)14-7-8-15(22-14)17(21)10-3-1-4-11(19)9-10/h1-9,19-20H
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n/an/a 6n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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 placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50331003
PNG
((5-(3,4-dihydroxyphenyl)thiophen-2-yl)(3-hydroxyph...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H12O4S/c18-12-3-1-2-11(8-12)17(21)16-7-6-15(22-16)10-4-5-13(19)14(20)9-10/h1-9,18-20H
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n/an/a 86n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50331000
PNG
(CHEMBL1277709 | [5-(3-Fluoro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
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n/an/a 17n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using [2,4,6,7-3H]-estrone as substrate after 30 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
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n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50331000
PNG
(CHEMBL1277709 | [5-(3-Fluoro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
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n/an/a 69n/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


(Homo sapiens (Human))
BDBM50330988
PNG
((3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-5-1-3-11(9-13)15-7-8-16(21-15)17(20)12-4-2-6-14(19)10-12/h1-10,18-19H
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n/an/a 109n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50330991
PNG
((3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,18-19H
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n/an/a 478n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(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 69n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50330996
PNG
((5-(3-hydroxy-4-methylphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Cc1ccc(cc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-5-6-12(10-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)9-13/h2-10,19-20H,1H3
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n/an/a 465n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50330997
PNG
((5-(4-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-5-4-10(9-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
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n/an/a 57n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50330998
PNG
((5-(2-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1F
Show InChI InChI=1S/C17H11FO3S/c18-16-12(5-2-6-13(16)20)14-7-8-15(22-14)17(21)10-3-1-4-11(19)9-10/h1-9,19-20H
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50331000
PNG
(CHEMBL1277709 | [5-(3-Fluoro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
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n/an/a 588n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50023154
PNG
(CHEMBL3298952)
Show SMILES OCc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c19-11-12-4-6-13(7-5-12)16-8-9-17(22-16)18(21)14-2-1-3-15(20)10-14/h1-10,19-20H,11H2
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n/an/a 157n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis


Eur J Med Chem 82: 394-406 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.074
BindingDB Entry DOI: 10.7270/Q2KD20G2
More data for this
Ligand-Target Pair