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Compile Data Set for Download or QSAR

Found 47 hits of ic50 data for polymerid = 50006640,50006993   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525971
PNG
(CHEMBL4574253)
Show SMILES Oc1cccc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H16ClNO4S2/c24-22-18(10-5-11-19(22)26)23(27)21-13-12-20(30-21)15-6-4-7-16(14-15)25-31(28,29)17-8-2-1-3-9-17/h1-14,25-26H
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n/an/a 2.70n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525972
PNG
(CHEMBL4459887)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H15ClFNO4S2/c24-22-18(27)10-9-17(25)21(22)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
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n/an/a 2.70n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525962
PNG
(CHEMBL4464314)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)c1F
Show InChI InChI=1S/C23H13ClF3NO4S2/c24-13-4-2-6-15(10-13)34(31,32)28-14-5-1-3-12(9-14)18-7-8-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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n/an/a 5.60n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525964
PNG
(CHEMBL4546082)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1F
Show InChI InChI=1S/C23H13ClF3NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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n/an/a 6.20n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525969
PNG
(CHEMBL4529443)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H16F3NO4S2/c1-13-4-2-7-16(10-13)34(31,32)28-15-6-3-5-14(11-15)19-8-9-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3
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n/an/a 7.90n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525967
PNG
(CHEMBL4538007)
Show SMILES Oc1ccc(Cl)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1F
Show InChI InChI=1S/C23H15ClFNO4S2/c24-17-9-10-18(27)22(25)21(17)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50515435
PNG
(CHEMBL4513439)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)c1F
Show InChI InChI=1S/C23H11F6NO4S2/c24-10-1-3-11(4-2-10)36(33,34)30-17-8-12(14(25)9-15(17)26)18-5-6-19(35-18)22(31)13-7-16(27)21(29)23(32)20(13)28/h1-9,30,32H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525968
PNG
(CHEMBL4457145)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C24H16F3NO4S2/c1-13-5-7-16(8-6-13)34(31,32)28-15-4-2-3-14(11-15)19-9-10-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50515434
PNG
(CHEMBL4518587)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-12-5-7-13(8-6-12)34(31,32)28-17-4-2-1-3-14(17)18-9-10-19(33-18)22(29)15-11-16(25)21(27)23(30)20(15)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50515432
PNG
(CHEMBL4447938)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-9-8-19(34-20)14-2-1-3-15(10-14)29-35(32,33)16-6-4-13(12-28)5-7-16/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525966
PNG
(CHEMBL4552641)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO4S2/c25-16-11-14(20(26)23(33)21(16)27)22(32)18-9-8-17(36-18)12-4-3-5-13(10-12)31-37(34,35)19-7-2-1-6-15(19)24(28,29)30/h1-11,31,33H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525970
PNG
(CHEMBL4450585)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H12BrF6NO5S2/c25-12-4-7-19(16(9-12)37-24(29,30)31)39(35,36)32-13-3-1-2-11(8-13)17-5-6-18(38-17)22(33)14-10-15(26)21(28)23(34)20(14)27/h1-10,32,34H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515448
PNG
(CHEMBL4459275)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-8-7-19(34-20)14-4-2-5-15(10-14)29-35(32,33)16-6-1-3-13(9-16)12-28/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515444
PNG
(CHEMBL4462505)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-3-7-15(8-4-13)34(31,32)28-14-5-1-12(2-6-14)18-9-10-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50126973
PNG
(CHEMBL3629587)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515434
PNG
(CHEMBL4518587)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-12-5-7-13(8-6-12)34(31,32)28-17-4-2-1-3-14(17)18-9-10-19(33-18)22(29)15-11-16(25)21(27)23(30)20(15)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515432
PNG
(CHEMBL4447938)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-9-8-19(34-20)14-2-1-3-15(10-14)29-35(32,33)16-6-4-13(12-28)5-7-16/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515446
PNG
(CHEMBL4441152)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515446
PNG
(CHEMBL4441152)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515441
PNG
(CHEMBL4466918)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C#N)c2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-17-11-16(21(26)24(31)22(17)27)23(30)19-9-8-18(34-19)13-5-3-6-15(10-13)29-35(32,33)20-7-2-1-4-14(20)12-28/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515431
PNG
(CHEMBL4441357)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-10-9-19(34-20)14-3-5-15(6-4-14)29-35(32,33)16-7-1-13(12-28)2-8-16/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525963
PNG
(CHEMBL4582194)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1F
Show InChI InChI=1S/C23H15F2NO4S2/c24-17-9-10-18(27)22(25)21(17)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515435
PNG
(CHEMBL4513439)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)c1F
Show InChI InChI=1S/C23H11F6NO4S2/c24-10-1-3-11(4-2-10)36(33,34)30-17-8-12(14(25)9-15(17)26)18-5-6-19(35-18)22(31)13-7-16(27)21(29)23(32)20(13)28/h1-9,30,32H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466027
PNG
(CHEMBL4292910)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466012
PNG
(CHEMBL4287575)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466012
PNG
(CHEMBL4287575)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50126972
PNG
(CHEMBL3629586)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515445
PNG
(CHEMBL4453509)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)c1F
Show InChI InChI=1S/C22H12ClF3N2O4S2/c23-18-8-5-13(10-27-18)34(31,32)28-12-3-1-11(2-4-12)16-6-7-17(33-16)21(29)14-9-15(24)20(26)22(30)19(14)25/h1-10,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515436
PNG
(CHEMBL4441313)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)c1F
Show InChI InChI=1S/C22H12ClF3N2O4S2/c23-18-8-5-11(10-27-18)34(31,32)28-15-4-2-1-3-12(15)16-6-7-17(33-16)21(29)13-9-14(24)20(26)22(30)19(13)25/h1-10,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515437
PNG
(CHEMBL4471724)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Cl)nc3)c2)c1F
Show InChI InChI=1S/C22H12ClF3N2O4S2/c23-18-7-4-13(10-27-18)34(31,32)28-12-3-1-2-11(8-12)16-5-6-17(33-16)21(29)14-9-15(24)20(26)22(30)19(14)25/h1-10,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50126973
PNG
(CHEMBL3629587)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515449
PNG
(CHEMBL4470668)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(cc3)C#N)c(F)cc2F)c1F
Show InChI InChI=1S/C24H11F5N2O4S2/c25-15-9-16(26)18(31-37(34,35)12-3-1-11(10-30)2-4-12)8-13(15)19-5-6-20(36-19)23(32)14-7-17(27)22(29)24(33)21(14)28/h1-9,31,33H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50515436
PNG
(CHEMBL4441313)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)c1F
Show InChI InChI=1S/C22H12ClF3N2O4S2/c23-18-8-5-11(10-27-18)34(31,32)28-15-4-2-1-3-12(15)16-6-7-17(33-16)21(29)13-9-14(24)20(26)22(30)19(13)25/h1-10,28,30H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50021404
PNG
(CHEMBL3289873)
Show SMILES COc1cccc(-c2cc(C)c(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
Show InChI InChI=1S/C21H20FNO3S/c1-13-10-18(16-8-5-9-17(26-3)19(16)22)27-20(13)21(25)23(2)12-14-6-4-7-15(24)11-14/h4-11,24H,12H2,1-3H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of mouse liver 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis


Eur J Med Chem 83: 317-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.036
BindingDB Entry DOI: 10.7270/Q2HQ41H5
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50126977
PNG
(CHEMBL3629591)
Show SMILES Cc1cc(NS(=O)(=O)C2CC2)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515450
PNG
(CHEMBL4443361)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2NS(=O)(=O)c2ccc(cc2)C#N)c1F
Show InChI InChI=1S/C24H13F3N2O4S2/c25-17-11-16(21(26)24(31)22(17)27)23(30)20-10-9-19(34-20)15-3-1-2-4-18(15)29-35(32,33)14-7-5-13(12-28)6-8-14/h1-11,29,31H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515451
PNG
(CHEMBL4584616)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)c1F
Show InChI InChI=1S/C22H10ClF5N2O4S2/c23-18-4-1-9(8-29-18)36(33,34)30-15-6-10(12(24)7-13(15)25)16-2-3-17(35-16)21(31)11-5-14(26)20(28)22(32)19(11)27/h1-8,30,32H
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n/an/a 60n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50516198
PNG
(CHEMBL4584367)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H10F3NO5S2/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-6-5-12(27-13)8-1-3-9(4-2-8)26-28(21,24)25/h1-7,23H,(H2,21,24,25)
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


Eur J Med Chem 178: 93-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.084
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525973
PNG
(CHEMBL4461477)
Show SMILES Oc1cccc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1F
Show InChI InChI=1S/C23H16FNO4S2/c24-22-18(10-5-11-19(22)26)23(27)21-13-12-20(30-21)15-6-4-7-16(14-15)25-31(28,29)17-8-2-1-3-9-17/h1-14,25-26H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50466018
PNG
(CHEMBL4283851)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H9Cl2F3O3S/c1-26-18-9(19)4-7(5-10(18)20)12-2-3-13(27-12)16(24)8-6-11(21)15(23)17(25)14(8)22/h2-6,25H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi...


J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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n/an/a 129n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525965
PNG
(CHEMBL4519897)
Show SMILES Oc1cc(ccc1Cl)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H16ClNO4S2/c24-19-10-9-16(14-20(19)26)23(27)22-12-11-21(30-22)15-5-4-6-17(13-15)25-31(28,29)18-7-2-1-3-8-18/h1-14,25-26H
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ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair