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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'al-soud' and Initial = 'ya'   
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358117
PNG
(CHEMBL1915965)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1F
Show InChI InChI=1S/C19H16FNO3S/c1-21(11-12-4-2-5-13(22)10-12)19(24)17-9-8-16(25-17)14-6-3-7-15(23)18(14)20/h2-10,22-23H,11H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25831
PNG
(4-[2-(3-hydroxyphenyl)-1,3-thiazol-5-yl]phenol | h...)
Show SMILES Oc1ccc(cc1)-c1cnc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO2S/c17-12-6-4-10(5-7-12)14-9-16-15(19-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 50n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358116
PNG
(CHEMBL1915968)
Show SMILES CN1[C@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O2S/c1-23-19(24)12-16(14-6-3-2-4-7-14)20(23)21(25)18-10-9-17(26-18)15-8-5-11-22-13-15/h2-11,13,16,20-21,25H,12H2,1H3/t16-,20-,21+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358118
PNG
(CHEMBL1915964)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(12-13-5-3-6-14(23)11-13)20(24)18-10-9-17(26-18)15-7-4-8-16(25-2)19(15)21/h3-11,23H,12H2,1-2H3
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25850
PNG
(3-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-13-6-4-11(5-7-13)15-8-9-16(19-15)12-2-1-3-14(18)10-12/h1-10,17-18H
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n/an/a 69n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25855
PNG
(3-[4-(4-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1ccc(cc1)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-14-6-4-11(5-7-14)13-9-16(19-10-13)12-2-1-3-15(18)8-12/h1-10,17-18H
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n/an/a 77n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25865
PNG
(3-[5-(3-hydroxyphenyl)pyridin-2-yl]phenol | hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc(nc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H13NO2/c19-15-5-1-3-12(9-15)14-7-8-17(18-11-14)13-4-2-6-16(20)10-13/h1-11,19-20H
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n/an/a 101n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358105
PNG
(CHEMBL1915948)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1ccccc1O
Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-5-4-6-14(21)11-13)19(23)18-10-9-17(24-18)15-7-2-3-8-16(15)22/h2-11,21-22H,12H2,1H3
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n/an/a 149n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25853
PNG
(4-[4-(3-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1ccc(cc1)-c1cc(cs1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-14-6-4-11(5-7-14)16-9-13(10-19-16)12-2-1-3-15(18)8-12/h1-10,17-18H
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n/an/a 151n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358124
PNG
(CHEMBL1915958)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)Cc1cccc(O)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(13-14-4-3-5-16(22)12-14)20(23)19-11-10-18(25-19)15-6-8-17(24-2)9-7-15/h3-12,22H,13H2,1-2H3
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n/an/a 161n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358121
PNG
(CHEMBL1915961)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-5-3-7-16(11-14)18-9-10-19(24-18)20(23)21(2)13-15-6-4-8-17(22)12-15/h3-12,22H,13H2,1-2H3
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n/an/a 164n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25839
PNG
(3-[5-(3-hydroxyphenyl)-1,2,4-thiadiazol-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nsc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N2O2S/c17-11-5-1-3-9(7-11)13-15-14(19-16-13)10-4-2-6-12(18)8-10/h1-8,17-18H
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n/an/a 169n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25863
PNG
(3-[4-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-5-1-3-15(11-17)13-7-9-14(10-8-13)16-4-2-6-18(20)12-16/h1-12,19-20H
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n/an/a 173n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25851
PNG
(3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-3-11(9-13)15-7-8-16(19-15)12-4-2-6-14(18)10-12/h1-10,17-18H
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n/an/a 173n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25856
PNG
(3-[4-(3-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1cccc(c1)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-14-5-1-3-11(7-14)13-9-16(19-10-13)12-4-2-6-15(18)8-12/h1-10,17-18H
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n/an/a 185n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358104
PNG
(CHEMBL1915949)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-20(13-14-6-5-9-16(21)12-14)19(22)18-11-10-17(23-18)15-7-3-2-4-8-15/h2-12,21H,13H2,1H3
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n/an/a 186n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25867
PNG
(3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-3-9(7-11)13-15-17-14(18-16-13)10-4-2-6-12(20)8-10/h1-8,19-20H
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n/an/a 201n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50358117
PNG
(CHEMBL1915965)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1F
Show InChI InChI=1S/C19H16FNO3S/c1-21(11-12-4-2-5-13(22)10-12)19(24)17-9-8-16(25-17)14-6-3-7-15(23)18(14)20/h2-10,22-23H,11H2,1H3
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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-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins by radio flow detector-based HPLC analysis in presenc...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358129
PNG
(CHEMBL1915950)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C20H19NO2S/c1-21(14-15-7-4-3-5-8-15)20(22)19-12-11-18(24-19)16-9-6-10-17(13-16)23-2/h3-13H,14H2,1-2H3
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n/an/a 222n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25832
PNG
(3-[2-(3-hydroxyphenyl)-1,3-thiazol-5-yl]phenol | h...)
Show SMILES Oc1cccc(c1)-c1cnc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-16-15(19-14)11-4-2-6-13(18)8-11/h1-9,17-18H
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n/an/a 243n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358122
PNG
(CHEMBL1915960)
Show SMILES CN(C)c1cccc(c1)-c1ccc(s1)C(=O)N(C)Cc1cccc(O)c1
Show InChI InChI=1S/C21H22N2O2S/c1-22(2)17-8-5-7-16(13-17)19-10-11-20(26-19)21(25)23(3)14-15-6-4-9-18(24)12-15/h4-13,24H,14H2,1-3H3
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n/an/a 246n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358112
PNG
(CHEMBL1915938)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(cc1)-c1cccc(C)c1
Show InChI InChI=1S/C22H21NO2/c1-16-5-3-7-20(13-16)18-9-11-19(12-10-18)22(25)23(2)15-17-6-4-8-21(24)14-17/h3-14,24H,15H2,1-2H3
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n/an/a 262n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358113
PNG
(CHEMBL1915937)
Show SMILES COc1cccc(CN(C)C(=O)c2ccc(cc2)-c2cccc(C)c2)c1
Show InChI InChI=1S/C23H23NO2/c1-17-6-4-8-21(14-17)19-10-12-20(13-11-19)23(25)24(2)16-18-7-5-9-22(15-18)26-3/h4-15H,16H2,1-3H3
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n/an/a 265n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358123
PNG
(CHEMBL1915959)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)Cc1cccc(O)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(13-14-5-3-7-16(22)11-14)20(23)19-10-9-18(25-19)15-6-4-8-17(12-15)24-2/h3-12,22H,13H2,1-2H3
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n/an/a 278n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358120
PNG
(CHEMBL1915962)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(F)c1
Show InChI InChI=1S/C19H16FNO2S/c1-21(12-13-4-2-7-16(22)10-13)19(23)18-9-8-17(24-18)14-5-3-6-15(20)11-14/h2-11,22H,12H2,1H3
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n/an/a 326n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358106
PNG
(CHEMBL1915946)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-3-2-4-16(22)11-13)19(23)18-10-9-17(24-18)14-5-7-15(21)8-6-14/h2-11,21-22H,12H2,1H3
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n/an/a 335n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25837
PNG
(3-[5-(3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N2O2S/c17-11-5-1-3-9(7-11)13-15-16-14(19-13)10-4-2-6-12(18)8-10/h1-8,17-18H
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n/an/a 336n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25847
PNG
(3-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
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n/an/a 342n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358128
PNG
(CHEMBL1915952)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C20H19NO2S/c1-21(14-15-6-4-3-5-7-15)20(22)19-13-12-18(24-19)16-8-10-17(23-2)11-9-16/h3-13H,14H2,1-2H3
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n/an/a 371n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358109
PNG
(CHEMBL1915943)
Show SMILES COc1cccc(CN(C)C(=O)c2ccc(s2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C21H21NO3S/c1-22(14-15-6-4-8-17(12-15)24-2)21(23)20-11-10-19(26-20)16-7-5-9-18(13-16)25-3/h4-13H,14H2,1-3H3
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n/an/a 371n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358108
PNG
(CHEMBL1915944)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3
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n/an/a 394n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25838
PNG
(4-[5-(3-hydroxyphenyl)-1,2,4-thiadiazol-3-yl]pheno...)
Show SMILES Oc1ccc(cc1)-c1nsc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N2O2S/c17-11-6-4-9(5-7-11)13-15-14(19-16-13)10-2-1-3-12(18)8-10/h1-8,17-18H
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n/an/a 413n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358119
PNG
(CHEMBL1915963)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO2S/c1-21(12-13-3-2-4-16(22)11-13)19(23)18-10-9-17(24-18)14-5-7-15(20)8-6-14/h2-11,22H,12H2,1H3
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n/an/a 430n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25836
PNG
(3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol | h...)
Show SMILES Oc1cccc(c1)-c1csc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-19-15(16-14)11-4-2-6-13(18)8-11/h1-9,17-18H
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n/an/a 455n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25864
PNG
(3-[4-(4-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(20)12-16/h1-12,19-20H
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n/an/a 471n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358110
PNG
(CHEMBL1915942)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C21H19NO3/c1-22(14-15-5-2-9-19(23)11-15)21(25)18-8-3-6-16(12-18)17-7-4-10-20(24)13-17/h2-13,23-24H,14H2,1H3
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n/an/a 482n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358115
PNG
(CHEMBL1915935)
Show SMILES COc1cccc(CN(C)C(=O)c2ccc(cc2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C23H23NO3/c1-24(16-17-6-4-8-21(14-17)26-2)23(25)19-12-10-18(11-13-19)20-7-5-9-22(15-20)27-3/h4-15H,16H2,1-3H3
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n/an/a 494n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358107
PNG
(CHEMBL1915945)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)Cc1cccc(OC)c1
Show InChI InChI=1S/C21H21NO3S/c1-22(14-15-5-4-6-18(13-15)25-3)21(23)20-12-11-19(26-20)16-7-9-17(24-2)10-8-16/h4-13H,14H2,1-3H3
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n/an/a 496n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358126
PNG
(CHEMBL1915955)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(s1)-c1ccccc1O
Show InChI InChI=1S/C19H17NO2S/c1-20(13-14-7-3-2-4-8-14)19(22)18-12-11-17(23-18)15-9-5-6-10-16(15)21/h2-12,21H,13H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25856
PNG
(3-[4-(3-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1cccc(c1)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-14-5-1-3-11(7-14)13-9-16(19-10-13)12-4-2-6-15(18)8-12/h1-10,17-18H
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n/an/a 559n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358114
PNG
(CHEMBL1915936)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-6-19(23)12-15)21(25)17-10-8-16(9-11-17)18-5-3-7-20(24)13-18/h2-13,23-24H,14H2,1H3
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n/an/a 594n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25839
PNG
(3-[5-(3-hydroxyphenyl)-1,2,4-thiadiazol-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nsc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N2O2S/c17-11-5-1-3-9(7-11)13-15-14(19-16-13)10-4-2-6-12(18)8-10/h1-8,17-18H
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n/an/a 602n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358111
PNG
(CHEMBL1915940)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3
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n/an/a 639n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM25851
PNG
(3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-3-11(9-13)15-7-8-16(19-15)12-4-2-6-14(18)10-12/h1-10,17-18H
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n/an/a 745n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358125
PNG
(CHEMBL1915957)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N2O2S/c1-22(13-15-3-2-4-17(23)11-15)20(24)19-10-9-18(25-19)16-7-5-14(12-21)6-8-16/h2-11,23H,13H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25828
PNG
(3-[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]phenol | h...)
Show SMILES Oc1ccc(cc1)-c1ncc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO2S/c17-12-6-4-10(5-7-12)15-16-9-14(19-15)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a>1.00E+3n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25835
PNG
(4-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol | h...)
Show SMILES Oc1ccc(cc1)-c1csc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO2S/c17-12-6-4-10(5-7-12)14-9-19-15(16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a>1.00E+3n/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25860
PNG
(3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol | hydro...)
Show SMILES Oc1ccc(cc1)-c1ccsc1-c1cccc(O)c1
Show InChI InChI=1S/C16H12O2S/c17-13-6-4-11(5-7-13)15-8-9-19-16(15)12-2-1-3-14(18)10-12/h1-10,17-18H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25861
PNG
(4-[3-(3-hydroxyphenyl)phenyl]phenol | hydroxypheny...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14O2/c19-17-9-7-13(8-10-17)14-3-1-4-15(11-14)16-5-2-6-18(20)12-16/h1-12,19-20H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25862
PNG
(4-[3-(4-hydroxyphenyl)phenyl]phenol | CHEMBL66279 ...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2RB72XG
More data for this
Ligand-Target Pair
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