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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'perspicace' and Initial = 'e'   
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 2


(Homo sapiens (Human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50441521
PNG
(CHEMBL2436731)
Show SMILES CN(c1cccc(c1)-c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3
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n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


Eur J Med Chem 69: 201-15 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.026
BindingDB Entry DOI: 10.7270/Q2639R58
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
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n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


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



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50267362
PNG
((2'S,8R,9S,13S,14S)-3-hydroxy-13-methyl-4',5',6,7,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCCC(=O)O1 |r|
Show InChI InChI=1S/C22H28O3/c1-21-11-8-17-16-7-5-15(23)13-14(16)4-6-18(17)19(21)9-12-22(21)10-2-3-20(24)25-22/h5,7,13,17-19,23H,2-4,6,8-12H2,1H3/t17-,18-,19+,21+,22+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50358116
PNG
(CHEMBL1915968)
Show SMILES CN1[C@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@@H](CC1=O)c1ccccc1 |r|
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 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50028613
PNG
(CHEMBL3342507)
Show SMILES CN(C(=O)c1ccc(s1)-c1cccc(C)c1)c1cccc(C)c1
Show InChI InChI=1S/C20H19NOS/c1-14-6-4-8-16(12-14)18-10-11-19(23-18)20(22)21(3)17-9-5-7-15(2)13-17/h4-13H,1-3H3
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n/an/a 52n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50021404
PNG
(CHEMBL3289873)
Show SMILES COc1cccc(-c2cc(C)c(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C21H20FNO3S/c1-13-10-18(16-8-5-9-17(26-3)19(16)22)27-20(13)21(25)23(2)12-14-6-4-7-15(24)11-14/h4-11,24H,12H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of mouse liver 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi...


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50028614
PNG
(CHEMBL3342508)
Show SMILES CN(C(=O)c1ccc(s1)-c1ccc(C)cc1)c1cccc(C)c1
Show InChI InChI=1S/C20H19NOS/c1-14-7-9-16(10-8-14)18-11-12-19(23-18)20(22)21(3)17-6-4-5-15(2)13-17/h4-13H,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 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 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi...


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426587
PNG
(CHEMBL2324361)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)c2cccc(C)c2)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-7-14(12-13)22(2)20(23)18-11-10-17(25-18)15-8-5-9-16(24-3)19(15)21/h4-12H,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi...


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 73n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a 105n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 119n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50028650
PNG
(CHEMBL3342534)
Show SMILES COc1cc(sc1C(=O)N(C)c1cccc(C)c1)-c1cccc(C)c1
Show InChI InChI=1S/C21H21NO2S/c1-14-7-5-9-16(11-14)19-13-18(24-4)20(25-19)21(23)22(3)17-10-6-8-15(2)12-17/h5-13H,1-4H3
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n/an/a 127n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50426586
PNG
(CHEMBL2324365)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-9-16(19(13)21)17-10-11-18(25-17)20(23)22(2)14-7-5-8-15(12-14)24-3/h4-12H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357467
PNG
(CHEMBL1917889)
Show SMILES Oc1ccc(c(F)c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-15-9-12(18)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)19/h1-9,18-19H
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n/an/a 132n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426588
PNG
(CHEMBL2324673)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H21NO2S/c1-26(21-12-6-10-19(16-21)18-8-4-3-5-9-18)25(27)24-15-14-23(29-24)20-11-7-13-22(17-20)28-2/h3-17H,1-2H3
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n/an/a 137n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426582
PNG
(CHEMBL2324678)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-5-4-6-17(13-15)24-3)20(22)19-12-11-18(25-19)14-7-9-16(23-2)10-8-14/h4-13H,1-3H3
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n/an/a 148n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357464
PNG
(CHEMBL1917895)
Show SMILES Oc1ccc(-c2ccc3c(O)cccc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)15-9-12(21)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)22/h1-9,21-22H
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n/an/a 156n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50441522
PNG
(CHEMBL2436729)
Show SMILES CN(c1cccc(c1)-c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C19H17NO4S/c1-20(25(23,24)19-10-4-9-18(22)13-19)16-7-2-5-14(11-16)15-6-3-8-17(21)12-15/h2-13,21-22H,1H3
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n/an/a 159n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


Eur J Med Chem 69: 201-15 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.026
BindingDB Entry DOI: 10.7270/Q2639R58
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50499960
PNG
(CHEMBL3740853)
Show SMILES CN(C(=O)c1ccc(Oc2ccc(C)cc2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C22H21NO2/c1-16-7-11-20(12-8-16)25-21-13-9-18(10-14-21)22(24)23(3)19-6-4-5-17(2)15-19/h4-15H,1-3H3
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n/an/a 160n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using E2/NAD+ as substrate/cofactor after 20 mins by HPLC analysis


Bioorg Med Chem Lett 26: 21-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.047
BindingDB Entry DOI: 10.7270/Q26T0QPD
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426593
PNG
(CHEMBL2324691)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C21H22N2O2S/c1-22(2)16-8-5-7-15(13-16)19-11-12-20(26-19)21(24)23(3)17-9-6-10-18(14-17)25-4/h5-14H,1-4H3
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n/an/a 169n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357464
PNG
(CHEMBL1917895)
Show SMILES Oc1ccc(-c2ccc3c(O)cccc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)15-9-12(21)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)22/h1-9,21-22H
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n/an/a 171n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426585
PNG
(CHEMBL2324366)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1c(F)ccc(OC)c1F
Show InChI InChI=1S/C20H17F2NO3S/c1-23(12-5-4-6-13(11-12)25-2)20(24)17-10-9-16(27-17)18-14(21)7-8-15(26-3)19(18)22/h4-11H,1-3H3
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n/an/a 184n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50299657
PNG
(3,3',3''-Thiene-2,3,5-triyltriphenol | CHEMBL57668...)
Show SMILES Oc1cccc(c1)-c1cc(c(s1)-c1cccc(O)c1)-c1cccc(O)c1
Show InChI InChI=1S/C22H16O3S/c23-17-7-1-4-14(10-17)20-13-21(15-5-2-8-18(24)11-15)26-22(20)16-6-3-9-19(25)12-16/h1-13,23-25H
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n/an/a 188n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi...


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426591
PNG
(CHEMBL2324693)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-8-16(12-14)21(2)20(22)19-11-10-18(24-19)15-7-5-9-17(13-15)23-3/h4-13H,1-3H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426594
PNG
(CHEMBL2324683)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-20(15-9-6-10-16(13-15)22-2)19(21)18-12-11-17(23-18)14-7-4-3-5-8-14/h3-13H,1-2H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50028617
PNG
(CHEMBL3342511)
Show SMILES CN(C(=O)c1ccc(s1)-c1ccc(C)cc1)c1ccccc1C
Show InChI InChI=1S/C20H19NOS/c1-14-8-10-16(11-9-14)18-12-13-19(23-18)20(22)21(3)17-7-5-4-6-15(17)2/h4-13H,1-3H3
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n/an/a 225n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50021404
PNG
(CHEMBL3289873)
Show SMILES COc1cccc(-c2cc(C)c(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C21H20FNO3S/c1-13-10-18(16-8-5-9-17(26-3)19(16)22)27-20(13)21(25)23(2)12-14-6-4-7-15(24)11-14/h4-11,24H,12H2,1-3H3
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n/an/a 235n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi...


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357465
PNG
(CHEMBL1917893)
Show SMILES Oc1cc(F)c(cc1F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H10F2O2/c17-13-8-16(20)14(18)7-12(13)10-4-5-11-9(6-10)2-1-3-15(11)19/h1-8,19-20H
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n/an/a 238n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50441521
PNG
(CHEMBL2436731)
Show SMILES CN(c1cccc(c1)-c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3
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n/an/a 238n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabeled, [2,4,6,7-3H]-estrone as substrate after 20 mins by HPLC analysis in pres...


Eur J Med Chem 69: 201-15 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.026
BindingDB Entry DOI: 10.7270/Q2639R58
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426584
PNG
(CHEMBL2324367)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C20H18FNO3S/c1-22(14-5-4-6-15(12-14)24-2)20(23)19-10-9-18(26-19)13-7-8-17(25-3)16(21)11-13/h4-12H,1-3H3
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n/an/a 242n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50426592
PNG
(CHEMBL2324692)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(SC)c1
Show InChI InChI=1S/C20H19NO2S2/c1-21(15-7-5-8-16(13-15)23-2)20(22)19-11-10-18(25-19)14-6-4-9-17(12-14)24-3/h4-13H,1-3H3
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n/an/a 242n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357468
PNG
(CHEMBL1917887)
Show SMILES Oc1ccc(cc1-c1ccccc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C22H16O2/c23-21-8-4-7-18-13-16(9-11-19(18)21)17-10-12-22(24)20(14-17)15-5-2-1-3-6-15/h1-14,23-24H
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n/an/a 261n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357469
PNG
(CHEMBL1917881)
Show SMILES Cc1cc(ccc1O)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H14O2/c1-11-9-12(6-8-16(11)18)13-5-7-15-14(10-13)3-2-4-17(15)19/h2-10,18-19H,1H3
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n/an/a 275n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50499963
PNG
(CHEMBL3741097)
Show SMILES COc1cccc(c1)N(C)C(=O)C1CCC(CC1)c1ccc(Cl)cc1 |(-6.4,-8.32,;-5.33,-7.71,;-5.33,-6.17,;-6.66,-5.4,;-6.66,-3.86,;-5.33,-3.09,;-4,-3.86,;-4,-5.4,;-2.66,-3.08,;-1.6,-3.7,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;2.67,1.54,;4,.77,;5.34,1.54,;5.33,3.08,;6.4,3.7,;4,3.85,;2.67,3.08,)|
Show InChI InChI=1S/C21H24ClNO2/c1-23(19-4-3-5-20(14-19)25-2)21(24)17-8-6-15(7-9-17)16-10-12-18(22)13-11-16/h3-5,10-15,17H,6-9H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using E2/NAD+ as substrate/cofactor after 20 mins by HPLC analysis


Bioorg Med Chem Lett 26: 21-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.047
BindingDB Entry DOI: 10.7270/Q26T0QPD
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50357466
PNG
(CHEMBL1917891)
Show SMILES Oc1ccc(cc1F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-14-9-11(5-7-16(14)19)10-4-6-13-12(8-10)2-1-3-15(13)18/h1-9,18-19H
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n/an/a 292n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50021410
PNG
(CHEMBL3289868)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ncc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C19H18N2O2S/c1-13-6-4-7-14(10-13)17-12-20-18(24-17)19(22)21(2)15-8-5-9-16(11-15)23-3/h4-12H,1-3H3
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n/an/a 296n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50021410
PNG
(CHEMBL3289868)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ncc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C19H18N2O2S/c1-13-6-4-7-14(10-13)17-12-20-18(24-17)19(22)21(2)15-8-5-9-16(11-15)23-3/h4-12H,1-3H3
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n/an/a 296n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi...


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50499962
PNG
(CHEMBL3741469)
Show SMILES CN(C(=O)c1ccc(Oc2cccc(C)c2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C22H21NO2/c1-16-6-4-8-19(14-16)23(3)22(24)18-10-12-20(13-11-18)25-21-9-5-7-17(2)15-21/h4-15H,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using E2/NAD+ as substrate/cofactor after 20 mins by HPLC analysis


Bioorg Med Chem Lett 26: 21-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.047
BindingDB Entry DOI: 10.7270/Q26T0QPD
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50499961
PNG
(CHEMBL3740671)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(cc1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C23H23NO2/c1-16-8-9-20(14-17(16)2)18-10-12-19(13-11-18)23(25)24(3)21-6-5-7-22(15-21)26-4/h5-15H,1-4H3
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n/an/a 300n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using E2/NAD+ as substrate/cofactor after 20 mins by HPLC analysis


Bioorg Med Chem Lett 26: 21-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.047
BindingDB Entry DOI: 10.7270/Q26T0QPD
More data for this
Ligand-Target Pair
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