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7 similar compounds to monomer 50396085

Compile data set for download or QSAR
Wt: 303.3
BDBM50396083
Wt: 287.2
BDBM50396079
Wt: 285.3
BDBM50396080
Wt: 289.2
BDBM50396081
Wt: 273.2
BDBM50396082
Wt: 289.2
BDBM50396084
Wt: 271.2
BDBM50396086

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50396083,50396079,50396080,50396081,50396082,50396084,50396086   
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))
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396086
PNG
(CHEMBL2170761)
Show SMILES Oc1cccc(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9NO3S/c16-9-3-1-2-8(6-9)13(18)14-15-11-5-4-10(17)7-12(11)19-14/h1-7,16-17H
KEGG

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PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396079
PNG
(CHEMBL2170755)
Show SMILES Oc1ccc(O)c(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9NO4S/c16-7-2-4-11(18)9(5-7)13(19)14-15-10-3-1-8(17)6-12(10)20-14/h1-6,16-18H
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n/an/a 78n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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 placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396081
PNG
(CHEMBL2170753)
Show SMILES Oc1ccc(F)c(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H8FNO3S/c15-10-3-1-7(17)5-9(10)13(19)14-16-11-4-2-8(18)6-12(11)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 placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396082
PNG
(CHEMBL2170752)
Show SMILES Oc1cc(ccc1F)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H
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n/an/a 136n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396083
PNG
(CHEMBL2170751)
Show SMILES COc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3
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n/an/a 38n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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 placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396086
PNG
(CHEMBL2170761)
Show SMILES Oc1cccc(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9NO3S/c16-9-3-1-2-8(6-9)13(18)14-15-11-5-4-10(17)7-12(11)19-14/h1-7,16-17H
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n/an/a 44n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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 570n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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 1.80E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2B6


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(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 5.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2B6


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50396079
PNG
(CHEMBL2170755)
Show SMILES Oc1ccc(O)c(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9NO4S/c16-7-2-4-11(18)9(5-7)13(19)14-15-10-3-1-8(17)6-12(10)20-14/h1-6,16-18H
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n/an/a 365n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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 258n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396079
PNG
(CHEMBL2170755)
Show SMILES Oc1ccc(O)c(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H9NO4S/c16-7-2-4-11(18)9(5-7)13(19)14-15-10-3-1-8(17)6-12(10)20-14/h1-6,16-18H
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n/an/a 1.54E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(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 4.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396081
PNG
(CHEMBL2170753)
Show SMILES Oc1ccc(F)c(c1)C(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H8FNO3S/c15-10-3-1-7(17)5-9(10)13(19)14-16-11-4-2-8(18)6-12(11)20-14/h1-6,17-18H
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n/an/a 1.42E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396082
PNG
(CHEMBL2170752)
Show SMILES Oc1cc(ccc1F)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H
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n/an/a 104n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50396083
PNG
(CHEMBL2170751)
Show SMILES COc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3
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n/an/a 59n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(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 121n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 55: 2469-73 (2012)


Article DOI: 10.1021/jm201711b
BindingDB Entry DOI: 10.7270/Q2J67J1C
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(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