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24 similar compounds to monomer 50190017

Compile data set for download or QSAR
Wt: 363.4
BDBM50167133
Wt: 379.4
BDBM50167145
Wt: 393.4
BDBM50167151
Wt: 406.5
BDBM50167154
Wt: 392.5
BDBM50167121
Wt: 378.4
BDBM50167122
Wt: 399.4
BDBM50190004
Wt: 381.4
BDBM50190006
Wt: 379.4
BDBM50190007
Wt: 363.4
BDBM50190009
Wt: 382.4
BDBM50190010
Wt: 407.4
BDBM50190012
Wt: 381.4
BDBM50190013
Wt: 397.9
BDBM50190016
Wt: 381.4
BDBM50190018
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50167133,50167145,50167151,50167154,50167121,50167122,50190004,50190006,50190007,50190009,50190010,50190012,50190013,50190016,50190018   
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 2


(Homo sapiens (Human))
BDBM50167121
PNG
((4R,5R)-5-[(R)-Hydroxy-(5-phenyl-thiophen-2-yl)-me...)
Show SMILES CNc1ccc(cc1)[C@H]1CC(=O)N(C)[C@H]1[C@@H](O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O2S/c1-24-17-10-8-15(9-11-17)18-14-21(26)25(2)22(18)23(27)20-13-12-19(28-20)16-6-4-3-5-7-16/h3-13,18,22-24,27H,14H2,1-2H3/t18-,22-,23+/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190004
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50167133
PNG
((4R,5R)-5-[(R)-Hydroxy-(5-phenyl-thiophen-2-yl)-me...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO2S/c1-23-20(24)14-17(15-8-4-2-5-9-15)21(23)22(25)19-13-12-18(26-19)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50167145
PNG
((4R,5R)-4-(4-Hydroxy-phenyl)-5-[(R)-hydroxy-(5-phe...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO3S/c1-23-20(25)13-17(14-7-9-16(24)10-8-14)21(23)22(26)19-12-11-18(27-19)15-5-3-2-4-6-15/h2-12,17,21-22,24,26H,13H2,1H3/t17-,21-,22+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50167154
PNG
((4R,5R)-4-(4-Dimethylamino-phenyl)-5-[(R)-hydroxy-...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1CC(=O)N(C)[C@H]1[C@@H](O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2S/c1-25(2)18-11-9-16(10-12-18)19-15-22(27)26(3)23(19)24(28)21-14-13-20(29-21)17-7-5-4-6-8-17/h4-14,19,23-24,28H,15H2,1-3H3/t19-,23-,24+/m1/s1
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n/an/a 2.43E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50167151
PNG
((4R,5R)-5-[(R)-Hydroxy-(5-phenyl-thiophen-2-yl)-me...)
Show SMILES COc1ccc(cc1)[C@H]1CC(=O)N(C)[C@H]1[C@@H](O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23NO3S/c1-24-21(25)14-18(15-8-10-17(27-2)11-9-15)22(24)23(26)20-13-12-19(28-20)16-6-4-3-5-7-16/h3-13,18,22-23,26H,14H2,1-2H3/t18-,22-,23+/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190004
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190006
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190007
PNG
((4R,5R)-5-((S)-hydroxy(5-(4-hydroxyphenyl)thiophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(O)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3S/c1-23-20(25)13-17(14-5-3-2-4-6-14)21(23)22(26)19-12-11-18(27-19)15-7-9-16(24)10-8-15/h2-12,17,21-22,24,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190009
PNG
((4R,5R)-5-((S)-hydroxy(5-phenylthiophen-2-yl)methy...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO2S/c1-23-20(24)14-17(15-8-4-2-5-9-15)21(23)22(25)19-13-12-18(26-19)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190010
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyrid...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3/t15-,20-,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190012
PNG
(3-(5-((S)-hydroxy((2R,3R)-1-methyl-5-oxo-3-phenylp...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccc(c2)C(O)=O)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H21NO4S/c1-24-20(25)13-17(14-6-3-2-4-7-14)21(24)22(26)19-11-10-18(29-19)15-8-5-9-16(12-15)23(27)28/h2-12,17,21-22,26H,13H2,1H3,(H,27,28)/t17-,21-,22-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190013
PNG
((4R,5R)-4-(4-fluorophenyl)-5-((S)-hydroxy(5-phenyl...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-7-9-16(23)10-8-14)21(24)22(26)19-12-11-18(27-19)15-5-3-2-4-6-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190016
PNG
((4R,5R)-5-((S)-(5-(4-chlorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(Cl)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20ClNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190010
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyrid...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3/t15-,20-,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190018
PNG
((4R,5R)-5-((S)-(5-(3-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccc(F)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-6-3-2-4-7-14)21(24)22(26)19-11-10-18(27-19)15-8-5-9-16(23)12-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190004
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190006
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190006
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(27-19)15-7-9-16(23)10-8-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50167122
PNG
((4R,5R)-4-(4-Amino-phenyl)-5-[(R)-hydroxy-(5-pheny...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C22H22N2O2S/c1-24-20(25)13-17(14-7-9-16(23)10-8-14)21(24)22(26)19-12-11-18(27-19)15-5-3-2-4-6-15/h2-12,17,21-22,26H,13,23H2,1H3/t17-,21-,22+/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)


Bioorg Med Chem Lett 15: 3053-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.025
BindingDB Entry DOI: 10.7270/Q24T6HW8
More data for this
Ligand-Target Pair