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PubMed code 21972996

Compile data set for download or QSAR
Found 21 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))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
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n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357467
PNG
(CHEMBL1917889)
Show SMILES Oc1ccc(c(F)c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-15-9-12(18)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)19/h1-9,18-19H
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n/an/a 132n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357464
PNG
(CHEMBL1917895)
Show SMILES Oc1ccc(-c2ccc3c(O)cccc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)15-9-12(21)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)22/h1-9,21-22H
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n/an/a 156n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357464
PNG
(CHEMBL1917895)
Show SMILES Oc1ccc(-c2ccc3c(O)cccc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)15-9-12(21)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)22/h1-9,21-22H
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n/an/a 171n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357465
PNG
(CHEMBL1917893)
Show SMILES Oc1cc(F)c(cc1F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H10F2O2/c17-13-8-16(20)14(18)7-12(13)10-4-5-11-9(6-10)2-1-3-15(11)19/h1-8,19-20H
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n/an/a 238n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357468
PNG
(CHEMBL1917887)
Show SMILES Oc1ccc(cc1-c1ccccc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C22H16O2/c23-21-8-4-7-18-13-16(9-11-19(18)21)17-10-12-22(24)20(14-17)15-5-2-1-3-6-15/h1-14,23-24H
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n/an/a 261n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357469
PNG
(CHEMBL1917881)
Show SMILES Cc1cc(ccc1O)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H14O2/c1-11-9-12(6-8-16(11)18)13-5-7-15-14(10-13)3-2-4-17(15)19/h2-10,18-19H,1H3
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n/an/a 275n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357466
PNG
(CHEMBL1917891)
Show SMILES Oc1ccc(cc1F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-14-9-11(5-7-16(14)19)10-4-6-13-12(8-10)2-1-3-15(13)18/h1-9,18-19H
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n/an/a 292n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50168319
PNG
(6-(4-Hydroxy-phenyl)-naphthalen-1-ol | 6-(4-hydrox...)
Show SMILES Oc1ccc(cc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H12O2/c17-14-7-4-11(5-8-14)12-6-9-15-13(10-12)2-1-3-16(15)18/h1-10,17-18H
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n/an/a 302n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357462
PNG
(CHEMBL1917898)
Show SMILES Oc1ccc(cc1Cl)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11ClO2/c17-14-9-11(5-7-16(14)19)10-4-6-13-12(8-10)2-1-3-15(13)18/h1-9,18-19H
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n/an/a 307n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357465
PNG
(CHEMBL1917893)
Show SMILES Oc1cc(F)c(cc1F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H10F2O2/c17-13-8-16(20)14(18)7-12(13)10-4-5-11-9(6-10)2-1-3-15(11)19/h1-8,19-20H
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n/an/a 309n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
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n/an/a 611n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357466
PNG
(CHEMBL1917891)
Show SMILES Oc1ccc(cc1F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-14-9-11(5-7-16(14)19)10-4-6-13-12(8-10)2-1-3-15(13)18/h1-9,18-19H
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n/an/a 713n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357468
PNG
(CHEMBL1917887)
Show SMILES Oc1ccc(cc1-c1ccccc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C22H16O2/c23-21-8-4-7-18-13-16(9-11-19(18)21)17-10-12-22(24)20(14-17)15-5-2-1-3-6-15/h1-14,23-24H
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n/an/a 919n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357464
PNG
(CHEMBL1917895)
Show SMILES Oc1ccc(-c2ccc3c(O)cccc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)15-9-12(21)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)22/h1-9,21-22H
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n/an/a 926n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357462
PNG
(CHEMBL1917898)
Show SMILES Oc1ccc(cc1Cl)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11ClO2/c17-14-9-11(5-7-16(14)19)10-4-6-13-12(8-10)2-1-3-15(13)18/h1-9,18-19H
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n/an/a 1.13E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357467
PNG
(CHEMBL1917889)
Show SMILES Oc1ccc(c(F)c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-15-9-12(18)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)19/h1-9,18-19H
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n/an/a 1.23E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357469
PNG
(CHEMBL1917881)
Show SMILES Cc1cc(ccc1O)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H14O2/c1-11-9-12(6-8-16(11)18)13-5-7-15-14(10-13)3-2-4-17(15)19/h2-10,18-19H,1H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357467
PNG
(CHEMBL1917889)
Show SMILES Oc1ccc(c(F)c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H11FO2/c17-15-9-12(18)5-7-13(15)11-4-6-14-10(8-11)2-1-3-16(14)19/h1-9,18-19H
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n/an/a 2.25E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50168319
PNG
(6-(4-Hydroxy-phenyl)-naphthalen-1-ol | 6-(4-hydrox...)
Show SMILES Oc1ccc(cc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H12O2/c17-14-7-4-11(5-8-14)12-6-9-15-13(10-12)2-1-3-16(15)18/h1-10,17-18H
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n/an/a 2.43E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%