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PubMed code 20977238

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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))		BDBM50331002
PNG
(CHEMBL1277801 | [5-(3-Chloro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H11ClO3S/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 5n/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
17-beta-hydroxysteroid dehydrogenase type 1


(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
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 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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331001
PNG
((5-(4-hydroxy-3-(trifluoromethyl)phenyl)thiophen-2...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H11F3O3S/c19-18(20,21)13-9-10(4-5-14(13)23)15-6-7-16(25-15)17(24)11-2-1-3-12(22)8-11/h1-9,22-23H
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n/an/a 16n/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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50330992
PNG
((3-hydroxyphenyl)(5-(2-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccccc1O
Show InChI InChI=1S/C17H12O3S/c18-12-5-3-4-11(10-12)17(20)16-9-8-15(21-16)13-6-1-2-7-14(13)19/h1-10,18-19H
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n/an/a 18n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50330994
PNG
((4-fluoro-3-hydroxyphenyl)(5-(3-hydroxyphenyl)thio...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-5-4-11(9-14(13)20)17(21)16-7-6-15(22-16)10-2-1-3-12(19)8-10/h1-9,19-20H
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n/an/a 18n/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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331005
PNG
(CHEMBL1277884 | [5-(3-Ethyl-4-hydroxyphenyl)-2-thi...)
Show SMILES CCc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H16O3S/c1-2-12-10-13(6-7-16(12)21)17-8-9-18(23-17)19(22)14-4-3-5-15(20)11-14/h3-11,20-21H,2H2,1H3
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n/an/a 20n/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
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 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
17-beta-hydroxysteroid dehydrogenase type 1


(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
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 27n/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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331006
PNG
(CHEMBL1277885 | [2-(4-Hydroxy-3-methylphenyl)-1,3-...)
Show SMILES Cc1cc(ccc1O)-c1ncc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H13NO3S/c1-10-7-12(5-6-14(10)20)17-18-9-15(22-17)16(21)11-3-2-4-13(19)8-11/h2-9,19-20H,1H3
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n/an/a 35n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50330994
PNG
((4-fluoro-3-hydroxyphenyl)(5-(3-hydroxyphenyl)thio...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-5-4-11(9-14(13)20)17(21)16-7-6-15(22-16)10-2-1-3-12(19)8-10/h1-9,19-20H
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n/an/a 49n/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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50330992
PNG
((3-hydroxyphenyl)(5-(2-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccccc1O
Show InChI InChI=1S/C17H12O3S/c18-12-5-3-4-11(10-12)17(20)16-9-8-15(21-16)13-6-1-2-7-14(13)19/h1-10,18-19H
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n/an/a 95n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50331001
PNG
((5-(4-hydroxy-3-(trifluoromethyl)phenyl)thiophen-2...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H11F3O3S/c19-18(20,21)13-9-10(4-5-14(13)23)15-6-7-16(25-15)17(24)11-2-1-3-12(22)8-11/h1-9,22-23H
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n/an/a 95n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331006
PNG
(CHEMBL1277885 | [2-(4-Hydroxy-3-methylphenyl)-1,3-...)
Show SMILES Cc1cc(ccc1O)-c1ncc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H13NO3S/c1-10-7-12(5-6-14(10)20)17-18-9-15(22-17)16(21)11-3-2-4-13(19)8-11/h2-9,19-20H,1H3
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n/an/a 107n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331004
PNG
((5-(4-hydroxy-3-methoxyphenyl)thiophen-2-yl)(3-hyd...)
Show SMILES COc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O4S/c1-22-15-10-11(5-6-14(15)20)16-7-8-17(23-16)18(21)12-3-2-4-13(19)9-12/h2-10,19-20H,1H3
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n/an/a 108n/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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331002
PNG
(CHEMBL1277801 | [5-(3-Chloro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H11ClO3S/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 126n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331007
PNG
((5-(4-hydroxy-3-methylphenyl)thiophen-3-yl)(3-hydr...)
Show SMILES Cc1cc(ccc1O)-c1cc(cs1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-7-12(5-6-16(11)20)17-9-14(10-22-17)18(21)13-3-2-4-15(19)8-13/h2-10,19-20H,1H3
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n/an/a 199n/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
17-beta-hydroxysteroid dehydrogenase type 1


(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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50330995
PNG
((3-hydroxy-4-nitrophenyl)(5-(3-hydroxyphenyl)thiop...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(c(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C17H11NO5S/c19-12-3-1-2-10(8-12)15-6-7-16(24-15)17(21)11-4-5-13(18(22)23)14(20)9-11/h1-9,19-20H
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n/an/a 240n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50331002
PNG
(CHEMBL1277801 | [5-(3-Chloro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H11ClO3S/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 246n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50331005
PNG
(CHEMBL1277884 | [5-(3-Ethyl-4-hydroxyphenyl)-2-thi...)
Show SMILES CCc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H16O3S/c1-2-12-10-13(6-7-16(12)21)17-8-9-18(23-17)19(22)14-4-3-5-15(20)11-14/h3-11,20-21H,2H2,1H3
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n/an/a 367n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50330989
PNG
((4-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)17(20)16-9-8-15(21-16)12-2-1-3-14(19)10-12/h1-10,18-19H
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n/an/a 368n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50330989
PNG
((4-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)17(20)16-9-8-15(21-16)12-2-1-3-14(19)10-12/h1-10,18-19H
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n/an/a 376n/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
17-beta-hydroxysteroid dehydrogenase type 2


(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 382n/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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50331006
PNG
(CHEMBL1277885 | [2-(4-Hydroxy-3-methylphenyl)-1,3-...)
Show SMILES Cc1cc(ccc1O)-c1ncc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H13NO3S/c1-10-7-12(5-6-14(10)20)17-18-9-15(22-17)16(21)11-3-2-4-13(19)8-11/h2-9,19-20H,1H3
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n/an/a 485n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50330990
PNG
((2-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccccc1O
Show InChI InChI=1S/C17H12O3S/c18-12-5-3-4-11(10-12)15-8-9-16(21-15)17(20)13-6-1-2-7-14(13)19/h1-10,18-19H
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n/an/a 567n/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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50330995
PNG
((3-hydroxy-4-nitrophenyl)(5-(3-hydroxyphenyl)thiop...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(c(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C17H11NO5S/c19-12-3-1-2-10(8-12)15-6-7-16(24-15)17(21)11-4-5-13(18(22)23)14(20)9-11/h1-9,19-20H
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n/an/a 594n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50331007
PNG
((5-(4-hydroxy-3-methylphenyl)thiophen-3-yl)(3-hydr...)
Show SMILES Cc1cc(ccc1O)-c1cc(cs1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-7-12(5-6-16(11)20)17-9-14(10-22-17)18(21)13-3-2-4-15(19)8-13/h2-10,19-20H,1H3
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n/an/a 719n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50331005
PNG
(CHEMBL1277884 | [5-(3-Ethyl-4-hydroxyphenyl)-2-thi...)
Show SMILES CCc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H16O3S/c1-2-12-10-13(6-7-16(12)21)17-8-9-18(23-17)19(22)14-4-3-5-15(20)11-14/h3-11,20-21H,2H2,1H3
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n/an/a 786n/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
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50331004
PNG
((5-(4-hydroxy-3-methoxyphenyl)thiophen-2-yl)(3-hyd...)
Show SMILES COc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O4S/c1-22-15-10-11(5-6-14(15)20)16-7-8-17(23-16)18(21)12-3-2-4-13(19)9-12/h2-10,19-20H,1H3
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n/an/a 793n/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
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50330990
PNG
((2-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccccc1O
Show InChI InChI=1S/C17H12O3S/c18-12-5-3-4-11(10-12)15-8-9-16(21-15)17(20)13-6-1-2-7-14(13)19/h1-10,18-19H
PDB
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n/an/a 945n/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
* indicates data uncertainty>20%