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PubMed code 23145773

Compile data set for download or QSAR
Found 45 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))
BDBM50267362
PNG
((2'S,8R,9S,13S,14S)-3-hydroxy-13-methyl-4',5',6,7,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCCC(=O)O1
Show InChI InChI=1S/C22H28O3/c1-21-11-8-17-16-7-5-15(23)13-14(16)4-6-18(17)19(21)9-12-22(21)10-2-3-20(24)25-22/h5,7,13,17-19,23H,2-4,6,8-12H2,1H3/t17-,18-,19+,21+,22+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358116
PNG
(CHEMBL1915968)
Show SMILES CN1[C@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O2S/c1-23-19(24)12-16(14-6-3-2-4-7-14)20(23)21(25)18-10-9-17(26-18)15-8-5-11-22-13-15/h2-11,13,16,20-21,25H,12H2,1H3/t16-,20-,21+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358118
PNG
(CHEMBL1915964)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(12-13-5-3-6-14(23)11-13)20(24)18-10-9-17(26-18)15-7-4-8-16(25-2)19(15)21/h3-11,23H,12H2,1-2H3
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426587
PNG
(CHEMBL2324361)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)c2cccc(C)c2)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-7-14(12-13)22(2)20(23)18-11-10-17(25-18)15-8-5-9-16(24-3)19(15)21/h4-12H,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 73n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a 105n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 119n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426586
PNG
(CHEMBL2324365)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-9-16(19(13)21)17-10-11-18(25-17)20(23)22(2)14-7-5-8-15(12-14)24-3/h4-12H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426588
PNG
(CHEMBL2324673)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H21NO2S/c1-26(21-12-6-10-19(16-21)18-8-4-3-5-9-18)25(27)24-15-14-23(29-24)20-11-7-13-22(17-20)28-2/h3-17H,1-2H3
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n/an/a 137n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426582
PNG
(CHEMBL2324678)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-5-4-6-17(13-15)24-3)20(22)19-12-11-18(25-19)14-7-9-16(23-2)10-8-14/h4-13H,1-3H3
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n/an/a 148n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426593
PNG
(CHEMBL2324691)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C21H22N2O2S/c1-22(2)16-8-5-7-15(13-16)19-11-12-20(26-19)21(24)23(3)17-9-6-10-18(14-17)25-4/h5-14H,1-4H3
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n/an/a 169n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426585
PNG
(CHEMBL2324366)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1c(F)ccc(OC)c1F
Show InChI InChI=1S/C20H17F2NO3S/c1-23(12-5-4-6-13(11-12)25-2)20(24)17-10-9-16(27-17)18-14(21)7-8-15(26-3)19(18)22/h4-11H,1-3H3
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n/an/a 184n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426591
PNG
(CHEMBL2324693)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-8-16(12-14)21(2)20(22)19-11-10-18(24-19)15-7-5-9-17(13-15)23-3/h4-13H,1-3H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426594
PNG
(CHEMBL2324683)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-20(15-9-6-10-16(13-15)22-2)19(21)18-12-11-17(23-18)14-7-4-3-5-8-14/h3-13H,1-2H3
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n/an/a 207n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426584
PNG
(CHEMBL2324367)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C20H18FNO3S/c1-22(14-5-4-6-15(12-14)24-2)20(23)19-10-9-18(26-19)13-7-8-17(25-3)16(21)11-13/h4-12H,1-3H3
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n/an/a 242n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426592
PNG
(CHEMBL2324692)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(SC)c1
Show InChI InChI=1S/C20H19NO2S2/c1-21(15-7-5-8-16(13-15)23-2)20(22)19-11-10-18(25-19)14-6-4-9-17(12-14)24-3/h4-13H,1-3H3
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n/an/a 242n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426583
PNG
(CHEMBL2324370)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C21H21NO4S/c1-22(14-6-5-7-15(12-14)24-2)21(23)20-11-10-19(27-20)17-9-8-16(25-3)13-18(17)26-4/h5-13H,1-4H3
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n/an/a 313n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358108
PNG
(CHEMBL1915944)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3
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n/an/a 394n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50358111
PNG
(CHEMBL1915940)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3
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n/an/a 482n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426590
PNG
(CHEMBL2324371)
Show SMILES CN(C(=O)c1ccc(s1)-c1cccc(O)c1)c1cccc(C)c1
Show InChI InChI=1S/C19H17NO2S/c1-13-5-3-7-15(11-13)20(2)19(22)18-10-9-17(23-18)14-6-4-8-16(21)12-14/h3-12,21H,1-2H3
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n/an/a 645n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426589
PNG
(CHEMBL2324373)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3NO2S/c1-24(15-7-4-6-14(12-15)20(21,22)23)19(25)18-10-9-17(27-18)13-5-3-8-16(11-13)26-2/h3-12H,1-2H3
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n/an/a 721n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50358118
PNG
(CHEMBL1915964)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(12-13-5-3-6-14(23)11-13)20(24)18-10-9-17(26-18)15-7-4-8-16(25-2)19(15)21/h3-11,23H,12H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell using [1,2-3H]Cortisone as substrate after 10 mins by scintillation counting ana...


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426588
PNG
(CHEMBL2324673)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H21NO2S/c1-26(21-12-6-10-19(16-21)18-8-4-3-5-9-18)25(27)24-15-14-23(29-24)20-11-7-13-22(17-20)28-2/h3-17H,1-2H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50426595
PNG
(CHEMBL1915966)
Show SMILES Cn1nc(nc1-c1ccc(cc1)-c1cccc(O)c1)-c1cccc(O)c1
Show InChI InChI=1S/C21H17N3O2/c1-24-21(22-20(23-24)17-5-3-7-19(26)13-17)15-10-8-14(9-11-15)16-4-2-6-18(25)12-16/h2-13,25-26H,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 (unknown origin)


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426583
PNG
(CHEMBL2324370)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C21H21NO4S/c1-22(14-6-5-7-15(12-14)24-2)21(23)20-11-10-19(27-20)17-9-8-16(25-3)13-18(17)26-4/h5-13H,1-4H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50358111
PNG
(CHEMBL1915940)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426594
PNG
(CHEMBL2324683)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-20(15-9-6-10-16(13-15)22-2)19(21)18-12-11-17(23-18)14-7-4-3-5-8-14/h3-13H,1-2H3
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n/an/a 4.34E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50358118
PNG
(CHEMBL1915964)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(12-13-5-3-6-14(23)11-13)20(24)18-10-9-17(26-18)15-7-4-8-16(25-2)19(15)21/h3-11,23H,12H2,1-2H3
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n/an/a 4.45E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426585
PNG
(CHEMBL2324366)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1c(F)ccc(OC)c1F
Show InChI InChI=1S/C20H17F2NO3S/c1-23(12-5-4-6-13(11-12)25-2)20(24)17-10-9-16(27-17)18-14(21)7-8-15(26-3)19(18)22/h4-11H,1-3H3
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n/an/a 4.81E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426592
PNG
(CHEMBL2324692)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(SC)c1
Show InChI InChI=1S/C20H19NO2S2/c1-21(15-7-5-8-16(13-15)23-2)20(22)19-11-10-18(25-19)14-6-4-9-17(12-14)24-3/h4-13H,1-3H3
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n/an/a 5.31E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426586
PNG
(CHEMBL2324365)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-9-16(19(13)21)17-10-11-18(25-17)20(23)22(2)14-7-5-8-15(12-14)24-3/h4-12H,1-3H3
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n/an/a 5.43E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50358108
PNG
(CHEMBL1915944)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3
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n/an/a 5.45E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426582
PNG
(CHEMBL2324678)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-5-4-6-17(13-15)24-3)20(22)19-12-11-18(25-19)14-7-9-16(23-2)10-8-14/h4-13H,1-3H3
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n/an/a 6.22E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426580
PNG
(CHEMBL2324690)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-7-15(12-14)18-10-11-19(24-18)20(22)21(2)16-8-5-9-17(13-16)23-3/h4-13H,1-3H3
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n/an/a 6.75E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426590
PNG
(CHEMBL2324371)
Show SMILES CN(C(=O)c1ccc(s1)-c1cccc(O)c1)c1cccc(C)c1
Show InChI InChI=1S/C19H17NO2S/c1-13-5-3-7-15(11-13)20(2)19(22)18-10-9-17(23-18)14-6-4-8-16(21)12-14/h3-12,21H,1-2H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426581
PNG
(CHEMBL2324679)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1
Show InChI InChI=1S/C20H19NO3S/c1-21(15-7-5-9-17(13-15)24-3)20(22)19-11-10-18(25-19)14-6-4-8-16(12-14)23-2/h4-13H,1-3H3
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n/an/a 7.59E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426587
PNG
(CHEMBL2324361)
Show SMILES COc1cccc(-c2ccc(s2)C(=O)N(C)c2cccc(C)c2)c1F
Show InChI InChI=1S/C20H18FNO2S/c1-13-6-4-7-14(12-13)22(2)20(23)18-11-10-17(25-18)15-8-5-9-16(24-3)19(15)21/h4-12H,1-3H3
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n/an/a 8.21E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426593
PNG
(CHEMBL2324691)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C21H22N2O2S/c1-22(2)16-8-5-7-15(13-16)19-11-12-20(26-19)21(24)23(3)17-9-6-10-18(14-17)25-4/h5-14H,1-4H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426591
PNG
(CHEMBL2324693)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-6-4-8-16(12-14)21(2)20(22)19-11-10-18(24-19)15-7-5-9-17(13-15)23-3/h4-13H,1-3H3
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Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426589
PNG
(CHEMBL2324373)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3NO2S/c1-24(15-7-4-6-14(12-15)20(21,22)23)19(25)18-10-9-17(27-18)13-5-3-8-16(11-13)26-2/h3-12H,1-2H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426584
PNG
(CHEMBL2324367)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C20H18FNO3S/c1-22(14-5-4-6-15(12-14)24-2)20(23)19-10-9-18(26-19)13-7-8-17(25-3)16(21)11-13/h4-12H,1-3H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50426579
PNG
(CHEMBL2324360)
Show SMILES COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(OC)c1F
Show InChI InChI=1S/C20H18FNO3S/c1-22(13-6-4-7-14(12-13)24-2)20(23)18-11-10-17(26-18)15-8-5-9-16(25-3)19(15)21/h4-12H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis


J Med Chem 56: 167-81 (2013)


Article DOI: 10.1021/jm3014053
BindingDB Entry DOI: 10.7270/Q2ZK5J0P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%