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PubMed code 16806919

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50190017
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-phenyl...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-16(15-9-5-6-10-17(15)23)21(24)22(26)19-12-11-18(27-19)14-7-3-2-4-8-14/h2-12,16,21-22,26H,13H2,1H3/t16-,21-,22-/m1/s1
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n/an/a 10n/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))
BDBM50190020
PNG
(4-(5-((S)-hydroxy((2R,3R)-1-methyl-5-oxo-3-phenylp...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(cc2)C#N)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H20N2O2S/c1-25-21(26)13-18(16-5-3-2-4-6-16)22(25)23(27)20-12-11-19(28-20)17-9-7-15(14-24)8-10-17/h2-12,18,22-23,27H,13H2,1H3/t18-,22-,23-/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))
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))
BDBM50190030
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H23NO5S2/c1-24-20(25)14-17(16-10-6-7-11-18(16)29-2)22(24)23(26)19-12-13-21(30-19)31(27,28)15-8-4-3-5-9-15/h3-13,17,22-23,26H,14H2,1-2H3/t17-,22-,23-/m1/s1
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n/an/a 40n/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))
BDBM50190011
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...)
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-/m1/s1
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n/an/a 50n/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))
BDBM50190008
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)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 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))
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))
BDBM50190015
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H20FNO4S2/c1-24-19(25)13-16(15-9-5-6-10-17(15)23)21(24)22(26)18-11-12-20(29-18)30(27,28)14-7-3-2-4-8-14/h2-12,16,21-22,26H,13H2,1H3/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))
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))
BDBM50190031
PNG
((4R,5R)-5-((S)-hydroxy(5-(morpholinosulfonyl)thiop...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)N2CCOCC2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O5S2/c1-21-17(23)13-15(14-5-3-2-4-6-14)19(21)20(24)16-7-8-18(28-16)29(25,26)22-9-11-27-12-10-22/h2-8,15,19-20,24H,9-13H2,1H3/t15-,19-,20-/m1/s1
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n/an/a 70n/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))
BDBM50190011
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...)
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-/m1/s1
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n/an/a 90n/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 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))
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))
BDBM50190035
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22FNO3S/c1-25-21(26)13-17(16-5-3-4-6-18(16)28-2)22(25)23(27)20-12-11-19(29-20)14-7-9-15(24)10-8-14/h3-12,17,22-23,27H,13H2,1-2H3/t17-,22-,23-/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))
BDBM50190028
PNG
((4R,5R)-5-((S)-(5-(2-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2F)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H20FNO2S/c1-24-20(25)13-16(14-7-3-2-4-8-14)21(24)22(26)19-12-11-18(27-19)15-9-5-6-10-17(15)23/h2-12,16,21-22,26H,13H2,1H3/t16-,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 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))
BDBM50190036
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-2-yl)thiophen-2-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccn2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O2S/c1-23-19(24)13-15(14-7-3-2-4-8-14)20(23)21(25)18-11-10-17(26-18)16-9-5-6-12-22-16/h2-12,15,20-21,25H,13H2,1H3/t15-,20-,21-/m1/s1
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n/an/a 150n/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))
BDBM50190014
PNG
((4R,5R)-5-((S)-(5-(3-(dimethylamino)phenyl)thiophe...)
Show SMILES CN(C)c1cccc(c1)-c1ccc(s1)[C@@H](O)[C@H]1[C@H](CC(=O)N1C)c1ccccc1
Show InChI InChI=1S/C24H26N2O2S/c1-25(2)18-11-7-10-17(14-18)20-12-13-21(29-20)24(28)23-19(15-22(27)26(23)3)16-8-5-4-6-9-16/h4-14,19,23-24,28H,15H2,1-3H3/t19-,23-,24-/m1/s1
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n/an/a 150n/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))
BDBM50190008
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)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 160n/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))
BDBM50190023
PNG
((4R,5R)-5-((S)-(5-(4-chlorophenylsulfonyl)thiophen...)
Show SMILES COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClNO5S2/c1-25-20(26)13-17(16-5-3-4-6-18(16)30-2)22(25)23(27)19-11-12-21(31-19)32(28,29)15-9-7-14(24)8-10-15/h3-12,17,22-23,27H,13H2,1-2H3/t17-,22-,23-/m1/s1
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n/an/a 190n/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 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))
BDBM50190037
PNG
((4R,5R)-5-((S)-hydroxy(5-(2-(trifluoromethyl)pheny...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccccc2C(F)(F)F)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H20F3NO2S/c1-27-20(28)13-16(14-7-3-2-4-8-14)21(27)22(29)19-12-11-18(30-19)15-9-5-6-10-17(15)23(24,25)26/h2-12,16,21-22,29H,13H2,1H3/t16-,21-,22-/m1/s1
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n/an/a 280n/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))
BDBM50190011
PNG
((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...)
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-/m1/s1
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n/an/a 300n/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))
BDBM50190024
PNG
((4R,5R)-5-((S)-hydroxy(5-methyl-3-phenylthiophen-2...)
Show SMILES CN1[C@@H]([C@H](O)c2sc(C)cc2-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H23NO2S/c1-15-13-19(17-11-7-4-8-12-17)23(27-15)22(26)21-18(14-20(25)24(21)2)16-9-5-3-6-10-16/h3-13,18,21-22,26H,14H2,1-2H3/t18-,21-,22+/m1/s1
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n/an/a 320n/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))
BDBM50190034
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylthio)thiophen-2-yl...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(Sc3ccccc3)s2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO2S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(27-18)26-16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 330n/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))
BDBM50190025
PNG
((4R,5R)-5-((S)-hydroxy(5-(3-methoxyphenyl)thiophen...)
Show SMILES COc1cccc(c1)-c1ccc(s1)[C@@H](O)[C@H]1[C@H](CC(=O)N1C)c1ccccc1
Show InChI InChI=1S/C23H23NO3S/c1-24-21(25)14-18(15-7-4-3-5-8-15)22(24)23(26)20-12-11-19(28-20)16-9-6-10-17(13-16)27-2/h3-13,18,22-23,26H,14H2,1-2H3/t18-,22-,23-/m1/s1
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n/an/a 340n/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))
BDBM50190026
PNG
(4-(5-((S)-hydroxy((2R,3R)-1-methyl-5-oxo-3-phenylp...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(cc2)C(O)=O)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H21NO4S/c1-24-20(25)13-17(14-5-3-2-4-6-14)21(24)22(26)19-12-11-18(29-19)15-7-9-16(10-8-15)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 380n/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))
BDBM50190027
PNG
((4R,5R)-4-(3-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H19F2NO2S/c1-25-20(26)12-17(14-3-2-4-16(24)11-14)21(25)22(27)19-10-9-18(28-19)13-5-7-15(23)8-6-13/h2-11,17,21-22,27H,12H2,1H3/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))
BDBM50190008
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)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 480n/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))
BDBM50190022
PNG
((4R,5R)-5-((S)-hydroxy(4-phenylthiophen-2-yl)methy...)
Show SMILES CN1[C@@H]([C@H](O)c2cc(cs2)-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO2S/c1-23-20(24)13-18(16-10-6-3-7-11-16)21(23)22(25)19-12-17(14-26-19)15-8-4-2-5-9-15/h2-12,14,18,21-22,25H,13H2,1H3/t18-,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))
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))
BDBM50190029
PNG
((4R,5R)-5-((S)-benzo[b]thiophen-2-yl(hydroxy)methy...)
Show SMILES CN1[C@@H]([C@H](O)c2cc3ccccc3s2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H19NO2S/c1-21-18(22)12-15(13-7-3-2-4-8-13)19(21)20(23)17-11-14-9-5-6-10-16(14)24-17/h2-11,15,19-20,23H,12H2,1H3/t15-,19-,20-/m1/s1
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n/an/a 590n/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))
BDBM50190021
PNG
((4R,5R)-5-((S)-hydroxy(5-phenylthiophen-2-yl)methy...)
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 880n/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))
BDBM50190005
PNG
((4R,5R)-5-((S)-(5-benzoylthiophen-2-yl)(hydroxy)me...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)C(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c1-24-20(25)14-17(15-8-4-2-5-9-15)21(24)23(27)19-13-12-18(28-19)22(26)16-10-6-3-7-11-16/h2-13,17,21,23,27H,14H2,1H3/t17-,21-,23-/m1/s1
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n/an/a 950n/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))
BDBM50190032
PNG
((4R,5R)-5-((S)-(5-(4-fluorobenzyl)thiophen-2-yl)(h...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(Cc3ccc(F)cc3)s2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H22FNO2S/c1-25-21(26)14-19(16-5-3-2-4-6-16)22(25)23(27)20-12-11-18(28-20)13-15-7-9-17(24)10-8-15/h2-12,19,22-23,27H,13-14H2,1H3/t19-,22-,23-/m1/s1
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n/an/a 1.19E+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))
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))
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))
BDBM50190033
PNG
((4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(h...)
Show SMILES COc1cccc(c1)[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22FNO3S/c1-25-21(26)13-18(15-4-3-5-17(12-15)28-2)22(25)23(27)20-11-10-19(29-20)14-6-8-16(24)9-7-14/h3-12,18,22-23,27H,13H2,1-2H3/t18-,22-,23-/m1/s1
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n/an/a 2.55E+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))
BDBM50190019
PNG
((4R,5R)-5-((S)-hydroxy(5-(4-(trifluoromethyl)pheny...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(cc2)C(F)(F)F)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C23H20F3NO2S/c1-27-20(28)13-17(14-5-3-2-4-6-14)21(27)22(29)19-12-11-18(30-19)15-7-9-16(10-8-15)23(24,25)26/h2-12,17,21-22,29H,13H2,1H3/t17-,21-,22-/m1/s1
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n/an/a 4.11E+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
* indicates data uncertainty>20%