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PubMed code 15890515

Compile data set for download or QSAR
Found 62 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))
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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PubMed
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))
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
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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
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))
BDBM50167111
PNG
((4R,5R)-5-[(S)-3-(2-Chloro-phenyl)-1-hydroxy-prop-...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2ccccc2Cl)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H18ClNO2/c1-22-19(24)13-16(14-7-3-2-4-8-14)20(22)18(23)12-11-15-9-5-6-10-17(15)21/h2-10,16,18,20,23H,13H2,1H3/t16-,18+,20-/m1/s1
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n/an/a 300n/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))
BDBM50167093
PNG
((4R,5R)-5-[(S)-3-(2-Fluoro-phenyl)-1-hydroxy-prop-...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2ccccc2F)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H18FNO2/c1-22-19(24)13-16(14-7-3-2-4-8-14)20(22)18(23)12-11-15-9-5-6-10-17(15)21/h2-10,16,18,20,23H,13H2,1H3/t16-,18+,20-/m1/s1
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n/an/a 320n/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))
BDBM50167095
PNG
((4R,5R)-5-[(S)-3-(3-Amino-phenyl)-1-hydroxy-prop-2...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2cccc(N)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-22-19(24)13-17(15-7-3-2-4-8-15)20(22)18(23)11-10-14-6-5-9-16(21)12-14/h2-9,12,17-18,20,23H,13,21H2,1H3/t17-,18+,20-/m1/s1
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n/an/a 370n/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))
BDBM50167113
PNG
((4R,5R)-5-((R)-Hydroxy-thiophen-2-yl-methyl)-1-met...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccs2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C16H17NO2S/c1-17-14(18)10-12(11-6-3-2-4-7-11)15(17)16(19)13-8-5-9-20-13/h2-9,12,15-16,19H,10H2,1H3/t12-,15-,16+/m1/s1
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n/an/a 400n/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))
BDBM50167115
PNG
((4R,5R)-5-((S)-Biphenyl-3-yl-hydroxy-methyl)-1-met...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccc(c2)-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C24H23NO2/c1-25-22(26)16-21(18-11-6-3-7-12-18)23(25)24(27)20-14-8-13-19(15-20)17-9-4-2-5-10-17/h2-15,21,23-24,27H,16H2,1H3/t21-,23-,24+/m1/s1
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n/an/a 420n/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))
BDBM50167110
PNG
((4R,5R)-5-((S)-1-Hydroxy-3-phenyl-prop-2-ynyl)-1-m...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H19NO2/c1-21-19(23)14-17(16-10-6-3-7-11-16)20(21)18(22)13-12-15-8-4-2-5-9-15/h2-11,17-18,20,22H,14H2,1H3/t17-,18+,20-/m1/s1
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n/an/a 430n/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))
BDBM50167147
PNG
((4R,5R)-5-[(S)-(3,4-Dichloro-phenyl)-hydroxy-methy...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-16(22)10-13(11-5-3-2-4-6-11)17(21)18(23)12-7-8-14(19)15(20)9-12/h2-9,13,17-18,23H,10H2,1H3/t13-,17-,18+/m1/s1
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n/an/a 440n/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))
BDBM50167146
PNG
((4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-prop-...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H18FNO2/c1-22-19(24)13-17(15-5-3-2-4-6-15)20(22)18(23)12-9-14-7-10-16(21)11-8-14/h2-8,10-11,17-18,20,23H,13H2,1H3/t17-,18+,20-/m1/s1
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n/an/a 480n/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))
BDBM50167144
PNG
((4R,5R)-5-[(R)-Hydroxy-(5-methyl-thiophen-2-yl)-me...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(C)s2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C17H19NO2S/c1-11-8-9-14(21-11)17(20)16-13(10-15(19)18(16)2)12-6-4-3-5-7-12/h3-9,13,16-17,20H,10H2,1-2H3/t13-,16-,17+/m1/s1
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n/an/a 560n/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))
BDBM50167153
PNG
((4R,5R)-5-((R)-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
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))
BDBM50167102
PNG
((4R,5R)-5-[(S)-(3-Chloro-phenyl)-hydroxy-methyl]-1...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccc(Cl)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H18ClNO2/c1-20-16(21)11-15(12-6-3-2-4-7-12)17(20)18(22)13-8-5-9-14(19)10-13/h2-10,15,17-18,22H,11H2,1H3/t15-,17-,18+/m1/s1
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n/an/a 700n/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))
BDBM50167125
PNG
((4R,5R)-5-((S)-1-Hydroxy-3-p-tolyl-prop-2-ynyl)-1-...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2ccc(C)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C21H21NO2/c1-15-8-10-16(11-9-15)12-13-19(23)21-18(14-20(24)22(21)2)17-6-4-3-5-7-17/h3-11,18-19,21,23H,14H2,1-2H3/t18-,19+,21-/m1/s1
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n/an/a 800n/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))
BDBM50167131
PNG
((4R,5R)-5-[(S)-Hydroxy-(3-methoxy-phenyl)-methyl]-...)
Show SMILES COc1cccc(c1)[C@H](O)[C@H]1[C@H](CC(=O)N1C)c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-20-17(21)12-16(13-7-4-3-5-8-13)18(20)19(22)14-9-6-10-15(11-14)23-2/h3-11,16,18-19,22H,12H2,1-2H3/t16-,18-,19+/m1/s1
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n/an/a 810n/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))
BDBM50167124
PNG
((4R,5R)-5-[(S)-Hydroxy-(3-trifluoromethyl-phenyl)-...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccc(c2)C(F)(F)F)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C19H18F3NO2/c1-23-16(24)11-15(12-6-3-2-4-7-12)17(23)18(25)13-8-5-9-14(10-13)19(20,21)22/h2-10,15,17-18,25H,11H2,1H3/t15-,17-,18+/m1/s1
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n/an/a 880n/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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PubMed
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))
BDBM50167152
PNG
((4R,5R)-5-[(S)-(3-Chloro-phenyl)-methoxy-methyl]-1...)
Show SMILES CO[C@H]([C@H]1[C@H](CC(=O)N1C)c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClNO2/c1-21-17(22)12-16(13-7-4-3-5-8-13)18(21)19(23-2)14-9-6-10-15(20)11-14/h3-11,16,18-19H,12H2,1-2H3/t16-,18-,19+/m1/s1
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PubMed
n/an/a 900n/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))
BDBM50167141
PNG
((4R,5R)-5-((S)-Benzo[1,3]dioxol-5-yl-hydroxy-methy...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc3OCOc3c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C19H19NO4/c1-20-17(21)10-14(12-5-3-2-4-6-12)18(20)19(22)13-7-8-15-16(9-13)24-11-23-15/h2-9,14,18-19,22H,10-11H2,1H3/t14-,18-,19+/m1/s1
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n/an/a 960n/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))
BDBM50167105
PNG
((4R,5R)-5-((S)-Biphenyl-4-yl-hydroxy-methyl)-1-met...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(cc2)-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C24H23NO2/c1-25-22(26)16-21(19-10-6-3-7-11-19)23(25)24(27)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21,23-24,27H,16H2,1H3/t21-,23-,24+/m1/s1
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n/an/a 1.02E+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))
BDBM50167119
PNG
((4R,5R)-5-[(S)-1-Hydroxy-3-(3-methoxy-phenyl)-prop...)
Show SMILES COc1cccc(c1)C#C[C@H](O)[C@H]1[C@H](CC(=O)N1C)c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-22-20(24)14-18(16-8-4-3-5-9-16)21(22)19(23)12-11-15-7-6-10-17(13-15)25-2/h3-10,13,18-19,21,23H,14H2,1-2H3/t18-,19+,21-/m1/s1
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n/an/a 1.09E+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))
BDBM50167143
PNG
((4R,5R)-5-[(S)-Hydroxy-(4'-hydroxy-biphenyl-4-yl)-...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(cc2)-c2ccc(O)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-25-22(27)15-21(18-5-3-2-4-6-18)23(25)24(28)19-9-7-16(8-10-19)17-11-13-20(26)14-12-17/h2-14,21,23-24,26,28H,15H2,1H3/t21-,23-,24+/m1/s1
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n/an/a 1.13E+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))
BDBM50167109
PNG
((4R,5R)-5-((S)-Benzofuran-3-yl-hydroxy-methyl)-1-m...)
Show SMILES CN1[C@@H]([C@@H](O)c2coc3ccccc23)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H19NO3/c1-21-18(22)11-15(13-7-3-2-4-8-13)19(21)20(23)16-12-24-17-10-6-5-9-14(16)17/h2-10,12,15,19-20,23H,11H2,1H3/t15-,19-,20+/m1/s1
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n/an/a 1.16E+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))
BDBM50167112
PNG
((4R,5R)-5-[(R)-(5-Bromo-thiophen-2-yl)-hydroxy-met...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(Br)s2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C16H16BrNO2S/c1-18-14(19)9-11(10-5-3-2-4-6-10)15(18)16(20)12-7-8-13(17)21-12/h2-8,11,15-16,20H,9H2,1H3/t11-,15-,16+/m1/s1
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n/an/a 1.20E+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))
BDBM50167108
PNG
((4R,5R)-5-[(S)-Hydroxy-(4-methoxy-phenyl)-methyl]-...)
Show SMILES COc1ccc(cc1)[C@H](O)[C@H]1[C@H](CC(=O)N1C)c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-20-17(21)12-16(13-6-4-3-5-7-13)18(20)19(22)14-8-10-15(23-2)11-9-14/h3-11,16,18-19,22H,12H2,1-2H3/t16-,18-,19+/m1/s1
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n/an/a 1.23E+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))
BDBM50167139
PNG
((4R,5R)-5-[(S)-(4'-Fluoro-biphenyl-4-yl)-hydroxy-m...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(cc2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C24H22FNO2/c1-26-22(27)15-21(18-5-3-2-4-6-18)23(26)24(28)19-9-7-16(8-10-19)17-11-13-20(25)14-12-17/h2-14,21,23-24,28H,15H2,1H3/t21-,23-,24+/m1/s1
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n/an/a 1.26E+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))
BDBM50167136
PNG
((4R,5R)-5-[(R)-(5-Bromo-furan-2-yl)-hydroxy-methyl...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(Br)o2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C16H16BrNO3/c1-18-14(19)9-11(10-5-3-2-4-6-10)15(18)16(20)12-7-8-13(17)21-12/h2-8,11,15-16,20H,9H2,1H3/t11-,15-,16+/m1/s1
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n/an/a 1.27E+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))
BDBM50167118
PNG
(Acetic acid (R)-((2R,3R)-1-methyl-5-oxo-3-phenyl-p...)
Show SMILES CN1[C@@H]([C@@H](OC(C)=O)c2cccs2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H19NO3S/c1-12(20)22-18(15-9-6-10-23-15)17-14(11-16(21)19(17)2)13-7-4-3-5-8-13/h3-10,14,17-18H,11H2,1-2H3/t14-,17-,18+/m1/s1
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n/an/a 1.37E+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))
BDBM50167107
PNG
((4R,5R)-5-[(E)-(S)-3-(4-Fluoro-phenyl)-1-hydroxy-a...)
Show SMILES CN1[C@@H]([C@@H](O)\C=C\c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H20FNO2/c1-22-19(24)13-17(15-5-3-2-4-6-15)20(22)18(23)12-9-14-7-10-16(21)11-8-14/h2-12,17-18,20,23H,13H2,1H3/b12-9+/t17-,18+,20-/m1/s1
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n/an/a 1.40E+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))
BDBM50167106
PNG
((4R,5R)-5-((S)-1-Hydroxy-3-pyridin-2-yl-prop-2-yny...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2ccccn2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-21-18(23)13-16(14-7-3-2-4-8-14)19(21)17(22)11-10-15-9-5-6-12-20-15/h2-9,12,16-17,19,22H,13H2,1H3/t16-,17+,19-/m1/s1
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n/an/a 1.50E+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))
BDBM50167138
PNG
((4R,5R)-5-((S)-Hydroxy-m-tolyl-methyl)-1-methyl-4-...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccc(C)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-13-7-6-10-15(11-13)19(22)18-16(12-17(21)20(18)2)14-8-4-3-5-9-14/h3-11,16,18-19,22H,12H2,1-2H3/t16-,18-,19+/m1/s1
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n/an/a 1.52E+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))
BDBM50167148
PNG
((4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-propy...)
Show SMILES CN1[C@@H]([C@@H](O)CCc2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H22FNO2/c1-22-19(24)13-17(15-5-3-2-4-6-15)20(22)18(23)12-9-14-7-10-16(21)11-8-14/h2-8,10-11,17-18,20,23H,9,12-13H2,1H3/t17-,18+,20-/m1/s1
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n/an/a 1.53E+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))
BDBM50167140
PNG
((4R,5R)-5-[(S)-(4-Dimethylamino-phenyl)-hydroxy-me...)
Show SMILES CN(C)c1ccc(cc1)[C@H](O)[C@H]1[C@H](CC(=O)N1C)c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c1-21(2)16-11-9-15(10-12-16)20(24)19-17(13-18(23)22(19)3)14-7-5-4-6-8-14/h4-12,17,19-20,24H,13H2,1-3H3/t17-,19-,20+/m1/s1
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n/an/a 1.65E+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))
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))
BDBM50167117
PNG
((4R,5R)-5-[(S)-1-Hydroxy-3-(3-hydroxy-phenyl)-prop...)
Show SMILES CN1[C@@H]([C@@H](O)C#Cc2cccc(O)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H19NO3/c1-21-19(24)13-17(15-7-3-2-4-8-15)20(21)18(23)11-10-14-6-5-9-16(22)12-14/h2-9,12,17-18,20,22-23H,13H2,1H3/t17-,18+,20-/m1/s1
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n/an/a 1.76E+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))
BDBM50167094
PNG
((4R,5R)-5-((S)-Hydroxy-p-tolyl-methyl)-1-methyl-4-...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(C)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-13-8-10-15(11-9-13)19(22)18-16(12-17(21)20(18)2)14-6-4-3-5-7-14/h3-11,16,18-19,22H,12H2,1-2H3/t16-,18-,19+/m1/s1
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n/an/a 1.82E+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))
BDBM50167120
PNG
((4R,5R)-5-((S)-1-Hydroxy-3-phenyl-propyl)-1-methyl...)
Show SMILES CN1[C@@H]([C@@H](O)CCc2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-21-19(23)14-17(16-10-6-3-7-11-16)20(21)18(22)13-12-15-8-4-2-5-9-15/h2-11,17-18,20,22H,12-14H2,1H3/t17-,18+,20-/m1/s1
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n/an/a 1.83E+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))
BDBM50167129
PNG
((4R,5R)-5-[(S)-(4-Chloro-phenyl)-hydroxy-methyl]-1...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(Cl)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H18ClNO2/c1-20-16(21)11-15(12-5-3-2-4-6-12)17(20)18(22)13-7-9-14(19)10-8-13/h2-10,15,17-18,22H,11H2,1H3/t15-,17-,18+/m1/s1
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n/an/a 1.96E+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))
BDBM50167096
PNG
((4R,5S)-5-(3-Chloro-benzyl)-1-methyl-4-phenyl-pyrr...)
Show SMILES CN1[C@@H](Cc2cccc(Cl)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H18ClNO/c1-20-17(11-13-6-5-9-15(19)10-13)16(12-18(20)21)14-7-3-2-4-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
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n/an/a 2.18E+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))
BDBM50167135
PNG
((4R,5R)-5-[(S)-2-(3-Chloro-phenyl)-1-hydroxy-ethyl...)
Show SMILES CN1[C@@H]([C@@H](O)Cc2cccc(Cl)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c1-21-18(23)12-16(14-7-3-2-4-8-14)19(21)17(22)11-13-6-5-9-15(20)10-13/h2-10,16-17,19,22H,11-12H2,1H3/t16-,17+,19-/m1/s1
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n/an/a 2.39E+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))
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))
BDBM50167104
PNG
((4R,5R)-5-((S)-Benzo[b]thiophen-3-yl-hydroxy-methy...)
Show SMILES CN1[C@@H]([C@@H](O)c2csc3ccccc23)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H19NO2S/c1-21-18(22)11-15(13-7-3-2-4-8-13)19(21)20(23)16-12-24-17-10-6-5-9-14(16)17/h2-10,12,15,19-20,23H,11H2,1H3/t15-,19-,20+/m1/s1
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n/an/a 2.66E+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))
BDBM50167137
PNG
((4R,5R)-5-[(S)-(4'-Fluoro-biphenyl-3-yl)-hydroxy-m...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccc(c2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C24H22FNO2/c1-26-22(27)15-21(17-6-3-2-4-7-17)23(26)24(28)19-9-5-8-18(14-19)16-10-12-20(25)13-11-16/h2-14,21,23-24,28H,15H2,1H3/t21-,23-,24+/m1/s1
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n/an/a 2.78E+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))
BDBM50167123
PNG
((4R,5R)-5-(Fluoro-thiophen-2-yl-methyl)-1-methyl-4...)
Show SMILES CN1[C@@H](C(F)c2cccs2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C16H16FNOS/c1-18-14(19)10-12(11-6-3-2-4-7-11)16(18)15(17)13-8-5-9-20-13/h2-9,12,15-16H,10H2,1H3/t12-,15?,16-/m1/s1
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n/an/a 2.98E+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))
BDBM50167100
PNG
((4R,5R)-5-((R)-Furan-2-yl-hydroxy-methyl)-1-methyl...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccco2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c1-17-14(18)10-12(11-6-3-2-4-7-11)15(17)16(19)13-8-5-9-20-13/h2-9,12,15-16,19H,10H2,1H3/t12-,15-,16+/m1/s1
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n/an/a 3.18E+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))
BDBM50167130
PNG
((4R,5R)-5-[(R)-Hydroxy-(5-phenyl-furan-2-yl)-methy...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(o2)-c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3/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 3.24E+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))
BDBM50167116
PNG
((4R,5R)-5-((R)-Methoxy-thiophen-2-yl-methyl)-1-met...)
Show SMILES CO[C@H]([C@H]1[C@H](CC(=O)N1C)c1ccccc1)c1cccs1
Show InChI InChI=1S/C17H19NO2S/c1-18-15(19)11-13(12-7-4-3-5-8-12)16(18)17(20-2)14-9-6-10-21-14/h3-10,13,16-17H,11H2,1-2H3/t13-,16-,17+/m1/s1
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n/an/a 3.91E+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))
BDBM50167127
PNG
((4R,5R)-1-Benzyl-5-((R)-hydroxy-thiophen-2-yl-meth...)
Show SMILES O[C@H]([C@H]1[C@H](CC(=O)N1Cc1ccccc1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C22H21NO2S/c24-20-14-18(17-10-5-2-6-11-17)21(22(25)19-12-7-13-26-19)23(20)15-16-8-3-1-4-9-16/h1-13,18,21-22,25H,14-15H2/t18-,21-,22+/m1/s1
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n/an/a 4.18E+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))
BDBM50167128
PNG
((4R,5R)-5-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-p...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H19NO2/c1-19-16(20)12-15(13-8-4-2-5-9-13)17(19)18(21)14-10-6-3-7-11-14/h2-11,15,17-18,21H,12H2,1H3/t15-,17-,18+/m1/s1
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n/an/a 5.00E+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))
BDBM50167098
PNG
((4R,5R)-5-((R)-Hydroxy-thiophen-2-yl-methyl)-1-met...)
Show SMILES CN1[C@@H]([C@@H](O)c2cccs2)[C@H](CC1=S)c1ccccc1
Show InChI InChI=1S/C16H17NOS2/c1-17-14(19)10-12(11-6-3-2-4-7-11)15(17)16(18)13-8-5-9-20-13/h2-9,12,15-16,18H,10H2,1H3/t12-,15-,16+/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167126
PNG
((4R,5R)-5-[(R)-Hydroxy-(1H-indol-2-yl)-methyl]-1-m...)
Show SMILES CN1[C@@H]([C@@H](O)c2cc3ccccc3[nH]2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-22-18(23)12-15(13-7-3-2-4-8-13)19(22)20(24)17-11-14-9-5-6-10-16(14)21-17/h2-11,15,19-21,24H,12H2,1H3/t15-,19-,20+/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167103
PNG
((4R,5R)-5-((S)-1-Hydroxy-2,2-dimethyl-propyl)-1-me...)
Show SMILES CN1[C@@H]([C@@H](O)C(C)(C)C)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C16H23NO2/c1-16(2,3)15(19)14-12(10-13(18)17(14)4)11-8-6-5-7-9-11/h5-9,12,14-15,19H,10H2,1-4H3/t12-,14-,15-/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167134
PNG
((4R,5R)-5-((R)-Hydroxy-thiophen-2-yl-methyl)-4-phe...)
Show SMILES O[C@H]([C@@H]1NC(=O)C[C@@H]1c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H15NO2S/c17-13-9-11(10-5-2-1-3-6-10)14(16-13)15(18)12-7-4-8-19-12/h1-8,11,14-15,18H,9H2,(H,16,17)/t11-,14-,15+/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167097
PNG
((4R,5R)-1-Methyl-4-phenyl-5-(thiophene-2-carbonyl)...)
Show SMILES CN1[C@H]([C@H](CC1=O)c1ccccc1)C(=O)c1cccs1
Show InChI InChI=1S/C16H15NO2S/c1-17-14(18)10-12(11-6-3-2-4-7-11)15(17)16(19)13-8-5-9-20-13/h2-9,12,15H,10H2,1H3/t12-,15-/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167149
PNG
((4R,5R)-5-[(R)-(2-Hydroxy-ethoxy)-thiophen-2-yl-me...)
Show SMILES CN1[C@@H]([C@@H](OCCO)c2cccs2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H21NO3S/c1-19-16(21)12-14(13-6-3-2-4-7-13)17(19)18(22-10-9-20)15-8-5-11-23-15/h2-8,11,14,17-18,20H,9-10,12H2,1H3/t14-,17-,18+/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167150
PNG
(CHEMBL433960 | N-(4-{(2R,3R)-2-[(R)-Hydroxy-(5-phe...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H24N2O4S2/c1-25-21(26)14-18(15-8-10-17(11-9-15)24-31(2,28)29)22(25)23(27)20-13-12-19(30-20)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>1.00E+4n/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))
BDBM50167114
PNG
(CHEMBL364856 | N-(4-{(2R,3R)-2-[(R)-Hydroxy-(5-phe...)
Show SMILES CN1[C@@H]([C@@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C24H24N2O3S/c1-15(27)25-18-10-8-16(9-11-18)19-14-22(28)26(2)23(19)24(29)21-13-12-20(30-21)17-6-4-3-5-7-17/h3-13,19,23-24,29H,14H2,1-2H3,(H,25,27)/t19-,23-,24+/m1/s1
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n/an/a>1.00E+4n/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))
BDBM50167142
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)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O4S/c1-23-20(25)13-17(14-7-9-16(10-8-14)24(27)28)21(23)22(26)19-12-11-18(29-19)15-5-3-2-4-6-15/h2-12,17,21-22,26H,13H2,1H3/t17-,21-,22+/m1/s1
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50167132
PNG
((4R,5R)-5-[(R)-(3-Chloro-phenyl)-hydroxy-methyl]-1...)
Show SMILES CN1[C@@H]([C@H](O)c2cccc(Cl)c2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C18H18ClNO2/c1-20-16(21)11-15(12-6-3-2-4-7-12)17(20)18(22)13-8-5-9-14(19)10-13/h2-10,15,17-18,22H,11H2,1H3/t15-,17-,18-/m1/s1
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PubMed
n/an/a>1.00E+4n/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))
BDBM50167101
PNG
((R)-((2R,3R)-1-Methyl-3-phenyl-pyrrolidin-2-yl)-th...)
Show SMILES CN1CC[C@@H]([C@@H]1[C@@H](O)c1cccs1)c1ccccc1
Show InChI InChI=1S/C16H19NOS/c1-17-10-9-13(12-6-3-2-4-7-12)15(17)16(18)14-8-5-11-19-14/h2-8,11,13,15-16,18H,9-10H2,1H3/t13-,15-,16+/m1/s1
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PubMed
n/an/a>1.00E+4n/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))
BDBM50167099
PNG
((4R,5R)-5-(3-Chloro-benzoyl)-1-methyl-4-phenyl-pyr...)
Show SMILES CN1[C@H]([C@H](CC1=O)c1ccccc1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClNO2/c1-20-16(21)11-15(12-6-3-2-4-7-12)17(20)18(22)13-8-5-9-14(19)10-13/h2-10,15,17H,11H2,1H3/t15-,17-/m1/s1
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/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
* indicates data uncertainty>20%