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PubMed code 20413314

Compile data set for download or QSAR
Found 14 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))		BDBM50318421
PNG
(3-[2-(5-Chloro-2-thienyl)pyridin-4-yl]phenol | CHE...)
Show SMILES Oc1cccc(c1)-c1ccnc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)13-9-11(6-7-17-13)10-2-1-3-12(18)8-10/h1-9,18H
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n/an/a 470n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318419
PNG
(3'-(5-Chloro-2-thienyl)biphenyl-3-ol | CHEMBL10970...)
Show SMILES Oc1cccc(c1)-c1cccc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H11ClOS/c17-16-8-7-15(19-16)13-5-1-3-11(9-13)12-4-2-6-14(18)10-12/h1-10,18H
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n/an/a 560n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318417
PNG
(4'-(6-Methoxypyridin-3-yl)biphenyl-3-ol | CHEMBL10...)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H15NO2/c1-21-18-10-9-16(12-19-18)14-7-5-13(6-8-14)15-3-2-4-17(20)11-15/h2-12,20H,1H3
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n/an/a 690n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318423
PNG
(3-[4-(5-Chloro-2-thienyl)pyridin-2-yl]phenol | CHE...)
Show SMILES Oc1cccc(c1)-c1cc(ccn1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)11-6-7-17-13(9-11)10-2-1-3-12(18)8-10/h1-9,18H
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n/an/a 850n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318418
PNG
(4'-(5-Chloro-2-thienyl)biphenyl-3-ol | CHEMBL10993...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H11ClOS/c17-16-9-8-15(19-16)12-6-4-11(5-7-12)13-2-1-3-14(18)10-13/h1-10,18H
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n/an/a 1.02E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318420
PNG
(3'-(1-Benzothien-2-yl)biphenyl-3-ol | CHEMBL109701...)
Show SMILES Oc1cccc(c1)-c1cccc(c1)-c1cc2ccccc2s1
Show InChI InChI=1S/C20H14OS/c21-18-9-4-7-15(12-18)14-6-3-8-16(11-14)20-13-17-5-1-2-10-19(17)22-20/h1-13,21H
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n/an/a 1.37E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318422
PNG
(3-[6-(5-Chloro-2-thienyl)pyridin-2-yl]phenol | CHE...)
Show SMILES Oc1cccc(c1)-c1cccc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H10ClNOS/c16-15-8-7-14(19-15)13-6-2-5-12(17-13)10-3-1-4-11(18)9-10/h1-9,18H
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n/an/a 1.39E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50318420
PNG
(3'-(1-Benzothien-2-yl)biphenyl-3-ol | CHEMBL109701...)
Show SMILES Oc1cccc(c1)-c1cccc(c1)-c1cc2ccccc2s1
Show InChI InChI=1S/C20H14OS/c21-18-9-4-7-15(12-18)14-6-3-8-16(11-14)20-13-17-5-1-2-10-19(17)22-20/h1-13,21H
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n/an/a 1.94E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50318419
PNG
(3'-(5-Chloro-2-thienyl)biphenyl-3-ol | CHEMBL10970...)
Show SMILES Oc1cccc(c1)-c1cccc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H11ClOS/c17-16-8-7-15(19-16)13-5-1-3-11(9-13)12-4-2-6-14(18)10-12/h1-10,18H
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n/an/a 2.37E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50318421
PNG
(3-[2-(5-Chloro-2-thienyl)pyridin-4-yl]phenol | CHE...)
Show SMILES Oc1cccc(c1)-c1ccnc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)13-9-11(6-7-17-13)10-2-1-3-12(18)8-10/h1-9,18H
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n/an/a 2.38E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone from human placental 17beta-HSD1

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50318417
PNG
(4'-(6-Methoxypyridin-3-yl)biphenyl-3-ol | CHEMBL10...)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C18H15NO2/c1-21-18-10-9-16(12-19-18)14-7-5-13(6-8-14)15-3-2-4-17(20)11-15/h2-12,20H,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50318423
PNG
(3-[4-(5-Chloro-2-thienyl)pyridin-2-yl]phenol | CHE...)
Show SMILES Oc1cccc(c1)-c1cc(ccn1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)11-6-7-17-13(9-11)10-2-1-3-12(18)8-10/h1-9,18H
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n/an/a 3.64E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50318422
PNG
(3-[6-(5-Chloro-2-thienyl)pyridin-2-yl]phenol | CHE...)
Show SMILES Oc1cccc(c1)-c1cccc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H10ClNOS/c16-15-8-7-14(19-15)13-6-2-5-12(17-13)10-3-1-4-11(18)9-10/h1-9,18H
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n/an/a 7.11E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50318418
PNG
(4'-(5-Chloro-2-thienyl)biphenyl-3-ol | CHEMBL10993...)
Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H11ClOS/c17-16-9-8-15(19-16)12-6-4-11(5-7-12)13-2-1-3-14(18)10-13/h1-10,18H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human placental 17beta-HSD2

Bioorg Med Chem 18: 3494-505 (2010)


Article DOI: 10.1016/j.bmc.2010.03.065
BindingDB Entry DOI: 10.7270/Q2F18ZW8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%