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PubMed code 16797984

Compile data set for download or QSAR
Found 12 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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189963
PNG
(1-(4-hydroxyphenyl)nonan-1-one | CHEMBL213237)
Show SMILES CCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
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Article
PubMed
n/an/a 2.86E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189961
PNG
(1-(4-hydroxyphenyl)decan-1-one | CHEMBL214141)
Show SMILES CCCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-16(18)14-10-12-15(17)13-11-14/h10-13,17H,2-9H2,1H3
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PubMed
n/an/a 4.97E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189956
PNG
(1-(4-hydroxyphenyl)octan-1-one | CHEMBL213038)
Show SMILES CCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,15H,2-7H2,1H3
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PubMed
n/an/a 6.52E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189962
PNG
(1-(4-hydroxyphenyl)dodecan-1-one | CHEMBL214017)
Show SMILES CCCCCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,19H,2-11H2,1H3
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PubMed
n/an/a 7.55E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189958
PNG
(1-(4-hydroxyphenyl)heptan-1-one | CHEMBL213954)
Show SMILES CCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
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PubMed
n/an/a 7.84E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189957
PNG
(1-(4-hydroxyphenyl)hexan-1-one | CHEMBL214106)
Show SMILES CCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C12H16O2/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189959
PNG
(1-(4-hydroxyphenyl)pentan-1-one | CHEMBL441370)
Show SMILES CCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
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PubMed
n/an/a 6.05E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 6.70E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189960
PNG
(1-(4-hydroxyphenyl)butan-1-one | CHEMBL214150)
Show SMILES CCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3
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n/an/a 8.95E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50177402
PNG
(1-(4-hydroxy-phenyl)-propan-1-one | 1-(4-hydroxyph...)
Show SMILES CCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
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n/an/a 1.51E+5n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 1.86E+5n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50177409
PNG
((4-hydroxyphenyl)ethan-1-one | 1-(4-hydroxyphenyl)...)
Show SMILES CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
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PubMed
n/an/a 1.71E+6n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%