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PubMed code 18514529

Compile data set for download or QSAR
Found 11 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 2


(Homo sapiens (Human))		BDBM50271078
PNG
(3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol | CH...)
Show SMILES Oc1ccc(cc1)-c1coc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-19-15(16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 250n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 using 17-beta-estradiol substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50271076
PNG
(3-[3-(4-hydroxyphenyl)isoxazol-5-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1cc(on1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-15(19-16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 270n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 using 17-beta-estradiol substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50271077
PNG
(3-[5-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol | CH...)
Show SMILES Oc1ccc(cc1)-c1cnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-16-15(19-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 310n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 using estrone substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50271077
PNG
(3-[5-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol | CH...)
Show SMILES Oc1ccc(cc1)-c1cnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-16-15(19-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 380n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17-beta-HSD1-mediated 17-beta-estradiol formation in human T47D cells

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50271075
PNG
(3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]pheno...)
Show SMILES Oc1ccc(cc1)-c1cn(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c18-12-6-4-10(5-7-12)14-9-17(16-15-14)11-2-1-3-13(19)8-11/h1-9,18-19H
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n/an/a 840n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 using estrone substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50271074
PNG
(3-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-phen...)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c18-12-6-4-11(5-7-12)17-9-14(15-16-17)10-2-1-3-13(19)8-10/h1-9,18-19H
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n/an/a 1.32E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 using estrone substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50271076
PNG
(3-[3-(4-hydroxyphenyl)isoxazol-5-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1cc(on1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-15(19-16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 1.61E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 using estrone substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50271078
PNG
(3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol | CH...)
Show SMILES Oc1ccc(cc1)-c1coc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-19-15(16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
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n/an/a 1.85E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 using estrone substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50271075
PNG
(3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]pheno...)
Show SMILES Oc1ccc(cc1)-c1cn(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c18-12-6-4-10(5-7-12)14-9-17(16-15-14)11-2-1-3-13(19)8-11/h1-9,18-19H
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n/an/a 7.28E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 using 17-beta-estradiol substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50271074
PNG
(3-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-phen...)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O2/c18-12-6-4-11(5-7-12)17-9-14(15-16-17)10-2-1-3-13(19)8-10/h1-9,18-19H
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n/an/a 8.12E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 using 17-beta-estradiol substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50271077
PNG
(3-[5-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol | CH...)
Show SMILES Oc1ccc(cc1)-c1cnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-16-15(19-14)11-2-1-3-13(18)8-11/h1-9,17-18H
KEGG

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n/an/a 1.75E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 using 17-beta-estradiol substrate

Bioorg Med Chem 16: 6423-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.073
BindingDB Entry DOI: 10.7270/Q2222TJS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%