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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'gerokonstantis' and Initial = 'dt'   
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
Ataxin-2


(Mus musculus)
BDBM50539271
PNG
(CHEMBL4643186)
Show SMILES OB(O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C26H27BN2O5/c30-25-15-14-24(29(25)17-20-4-2-1-3-5-20)26(31)28-16-19-8-12-23(13-9-19)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24,32-33H,14-18H2,(H,28,31)/t24-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539260
PNG
(CHEMBL4640637)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C32H37BN2O5/c1-31(2)32(3,4)40-33(39-31)26-14-10-25(11-15-26)22-38-27-16-12-23(13-17-27)20-34-30(37)28-18-19-29(36)35(28)21-24-8-6-5-7-9-24/h5-17,28H,18-22H2,1-4H3,(H,34,37)/t28-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539261
PNG
(CHEMBL4635495)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C32H36BFN2O5/c1-31(2)32(3,4)41-33(40-31)25-11-5-24(6-12-25)21-39-27-15-9-22(10-16-27)19-35-30(38)28-17-18-29(37)36(28)20-23-7-13-26(34)14-8-23/h5-16,28H,17-21H2,1-4H3,(H,35,38)/t28-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539262
PNG
(CHEMBL4641981)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C32H37BN2O5/c1-31(2)32(3,4)40-33(39-31)26-14-10-25(11-15-26)22-38-27-16-12-23(13-17-27)20-34-30(37)28-18-19-29(36)35(28)21-24-8-6-5-7-9-24/h5-17,28H,18-22H2,1-4H3,(H,34,37)/t28-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539266
PNG
(CHEMBL4634443)
Show SMILES ONC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H27N3O5/c31-25-15-14-24(30(25)17-20-4-2-1-3-5-20)27(33)28-16-19-8-12-23(13-9-19)35-18-21-6-10-22(11-7-21)26(32)29-34/h1-13,24,34H,14-18H2,(H,28,33)(H,29,32)/t24-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539280
PNG
(CHEMBL4649464)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H27FN2O4/c28-23-11-5-20(6-12-23)17-30-15-1-2-25(30)26(31)29-16-19-7-13-24(14-8-19)34-18-21-3-9-22(10-4-21)27(32)33/h3-14,25H,1-2,15-18H2,(H,29,31)(H,32,33)/t25-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539250
PNG
(CHEMBL4635420)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H26N2O5/c30-25-15-14-24(29(25)17-20-4-2-1-3-5-20)26(31)28-16-19-8-12-23(13-9-19)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24H,14-18H2,(H,28,31)(H,32,33)/t24-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539258
PNG
(CHEMBL4643681)
Show SMILES NS(=O)(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C26H26FN3O5S/c27-21-7-1-19(2-8-21)16-30-24(13-14-25(30)31)26(32)29-15-18-3-9-22(10-4-18)35-17-20-5-11-23(12-6-20)36(28,33)34/h1-12,24H,13-17H2,(H,29,32)(H2,28,33,34)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539259
PNG
(CHEMBL4648452)
Show SMILES NS(=O)(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(cc3)C(F)(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C27H26F3N3O5S/c28-27(29,30)21-7-1-19(2-8-21)16-33-24(13-14-25(33)34)26(35)32-15-18-3-9-22(10-4-18)38-17-20-5-11-23(12-6-20)39(31,36)37/h1-12,24H,13-17H2,(H,32,35)(H2,31,36,37)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539263
PNG
(CHEMBL4633925)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C26H26N2O3/c29-25-16-15-24(28(25)18-21-7-3-1-4-8-21)26(30)27-17-20-11-13-23(14-12-20)31-19-22-9-5-2-6-10-22/h1-14,24H,15-19H2,(H,27,30)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539264
PNG
(CHEMBL4643618)
Show SMILES Cl.O=C(NCc1ccc(OCc2ccc(cc2)C(=O)NCCc2c[nH]cn2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C32H33N5O4.ClH/c38-30-15-14-29(37(30)20-24-4-2-1-3-5-24)32(40)35-18-23-8-12-28(13-9-23)41-21-25-6-10-26(11-7-25)31(39)34-17-16-27-19-33-22-36-27;/h1-13,19,22,29H,14-18,20-21H2,(H,33,36)(H,34,39)(H,35,40);1H/t29-;/m0./s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539265
PNG
(CHEMBL4640658)
Show SMILES Cl.Fc1ccc(CN2[C@@H](CCC2=O)C(=O)NCc2ccc(OCc3ccc(cc3)C(=O)NCCc3c[nH]cn3)cc2)cc1 |r|
Show InChI InChI=1S/C32H32FN5O4.ClH/c33-26-9-3-23(4-10-26)19-38-29(13-14-30(38)39)32(41)36-17-22-5-11-28(12-6-22)42-20-24-1-7-25(8-2-24)31(40)35-16-15-27-18-34-21-37-27;/h1-12,18,21,29H,13-17,19-20H2,(H,34,37)(H,35,40)(H,36,41);1H/t29-;/m0./s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539267
PNG
(CHEMBL4636542)
Show SMILES O=C(NCc1ccc(OCc2ccc(cc2)-c2nn[nH]n2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C27H26N6O3/c34-25-15-14-24(33(25)17-20-4-2-1-3-5-20)27(35)28-16-19-8-12-23(13-9-19)36-18-21-6-10-22(11-7-21)26-29-31-32-30-26/h1-13,24H,14-18H2,(H,28,35)(H,29,30,31,32)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539268
PNG
(CHEMBL4647968)
Show SMILES Fc1ccc(CN2[C@@H](CCC2=O)C(=O)NCc2ccc(OCc3ccc(cc3)-c3nn[nH]n3)cc2)cc1 |r|
Show InChI InChI=1S/C27H25FN6O3/c28-22-9-3-19(4-10-22)16-34-24(13-14-25(34)35)27(36)29-15-18-5-11-23(12-6-18)37-17-20-1-7-21(8-2-20)26-30-32-33-31-26/h1-12,24H,13-17H2,(H,29,36)(H,30,31,32,33)/t24-/m0/s1
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National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539269
PNG
(CHEMBL4633539)
Show SMILES O=C(NCc1ccc(OCc2cn(nn2)-c2ccccc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C28H27N5O3/c34-27-16-15-26(32(27)18-22-7-3-1-4-8-22)28(35)29-17-21-11-13-25(14-12-21)36-20-23-19-33(31-30-23)24-9-5-2-6-10-24/h1-14,19,26H,15-18,20H2,(H,29,35)/t26-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539270
PNG
(CHEMBL4638994)
Show SMILES O=C(NCc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C25H25N3O3/c29-24-11-10-23(28(24)17-20-4-2-1-3-5-20)25(30)27-16-19-6-8-22(9-7-19)31-18-21-12-14-26-15-13-21/h1-9,12-15,23H,10-11,16-18H2,(H,27,30)/t23-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539272
PNG
(CHEMBL4647271)
Show SMILES OC(=O)c1ccc(COc2ccc(CN3[C@@H](CCC3=O)C(=O)NCc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H26N2O5/c30-25-15-14-24(26(31)28-16-19-4-2-1-3-5-19)29(25)17-20-8-12-23(13-9-20)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24H,14-18H2,(H,28,31)(H,32,33)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539273
PNG
(CHEMBL4637435)
Show SMILES O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc(OCc2ccc(cc2)-c2nn[nH]n2)cc1 |r|
Show InChI InChI=1S/C27H26N6O3/c34-25-15-14-24(27(35)28-16-19-4-2-1-3-5-19)33(25)17-20-8-12-23(13-9-20)36-18-21-6-10-22(11-7-21)26-29-31-32-30-26/h1-13,24H,14-18H2,(H,28,35)(H,29,30,31,32)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539274
PNG
(CHEMBL4649301)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O4S/c20-27(25,26)17-9-6-15(7-10-17)19(24)21-12-16-8-11-18(23)22(16)13-14-4-2-1-3-5-14/h1-7,9-10,16H,8,11-13H2,(H,21,24)(H2,20,25,26)/t16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539275
PNG
(CHEMBL4641830)
Show SMILES COC(=O)c1ccc(COc2ccc(CN3[C@H](Cn4ccnc4)CCC3=O)cc2)cc1 |r|
Show InChI InChI=1S/C24H25N3O4/c1-30-24(29)20-6-2-19(3-7-20)16-31-22-9-4-18(5-10-22)14-27-21(8-11-23(27)28)15-26-13-12-25-17-26/h2-7,9-10,12-13,17,21H,8,11,14-16H2,1H3/t21-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539276
PNG
(CHEMBL4636942)
Show SMILES OC(=O)c1ccc(COc2ccc(CN3[C@H](Cn4ccnc4)CCC3=O)cc2)cc1 |r|
Show InChI InChI=1S/C23H23N3O4/c27-22-10-7-20(14-25-12-11-24-16-25)26(22)13-17-3-8-21(9-4-17)30-15-18-1-5-19(6-2-18)23(28)29/h1-6,8-9,11-12,16,20H,7,10,13-15H2,(H,28,29)/t20-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539277
PNG
(CHEMBL4633470)
Show SMILES O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O2/c22-18-12-11-17(21(18)14-16-9-5-2-6-10-16)19(23)20-13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,23)/t17-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539278
PNG
(CHEMBL4634246)
Show SMILES Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O3/c22-16-8-6-14(7-9-16)12-20-19(24)17-10-11-18(23)21(17)13-15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,20,24)/t17-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539279
PNG
(CHEMBL4635350)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H28N2O4/c30-26(25-7-4-16-29(25)18-21-5-2-1-3-6-21)28-17-20-10-14-24(15-11-20)33-19-22-8-12-23(13-9-22)27(31)32/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,30)(H,31,32)/t25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539281
PNG
(CHEMBL4637197)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H27FN2O4/c28-23-11-5-20(6-12-23)17-30-15-1-2-25(30)26(31)29-16-19-7-13-24(14-8-19)34-18-21-3-9-22(10-4-21)27(32)33/h3-14,25H,1-2,15-18H2,(H,29,31)(H,32,33)/t25-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539282
PNG
(CHEMBL4646537)
Show SMILES O=C(NCc1ccc(OCc2ccc(cc2)-c2nn[nH]n2)cc1)[C@@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C27H28N6O2/c34-27(25-7-4-16-33(25)18-21-5-2-1-3-6-21)28-17-20-10-14-24(15-11-20)35-19-22-8-12-23(13-9-22)26-29-31-32-30-26/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,34)(H,29,30,31,32)/t25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539283
PNG
(CHEMBL4641314)
Show SMILES OC(=O)c1ccc(COc2ccc(CN3CCC[C@H]3C(=O)NCc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H28N2O4/c30-26(28-17-20-5-2-1-3-6-20)25-7-4-16-29(25)18-21-10-14-24(15-11-21)33-19-22-8-12-23(13-9-22)27(31)32/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,30)(H,31,32)/t25-/m0/s1
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National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539257
PNG
(CHEMBL4632788)
Show SMILES NS(=O)(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C26H27N3O5S/c27-35(32,33)23-12-8-21(9-13-23)18-34-22-10-6-19(7-11-22)16-28-26(31)24-14-15-25(30)29(24)17-20-4-2-1-3-5-20/h1-13,24H,14-18H2,(H,28,31)(H2,27,32,33)/t24-/m0/s1
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National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539256
PNG
(CHEMBL4645027)
Show SMILES COC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C28H28N2O5/c1-34-28(33)23-11-7-22(8-12-23)19-35-24-13-9-20(10-14-24)17-29-27(32)25-15-16-26(31)30(25)18-21-5-3-2-4-6-21/h2-14,25H,15-19H2,1H3,(H,29,32)/t25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539255
PNG
(CHEMBL4644998)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2)cc1 |r|
Show InChI InChI=1S/C20H20N2O5/c23-18-10-9-17(22-18)19(24)21-11-13-3-7-16(8-4-13)27-12-14-1-5-15(6-2-14)20(25)26/h1-8,17H,9-12H2,(H,21,24)(H,22,23)(H,25,26)/t17-/m0/s1
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National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539254
PNG
(CHEMBL4633870)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(cc3)C(F)(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C28H25F3N2O5/c29-28(30,31)22-9-3-19(4-10-22)16-33-24(13-14-25(33)34)26(35)32-15-18-5-11-23(12-6-18)38-17-20-1-7-21(8-2-20)27(36)37/h1-12,24H,13-17H2,(H,32,35)(H,36,37)/t24-/m0/s1
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National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539253
PNG
(CHEMBL4645244)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H25FN2O5/c28-22-9-3-19(4-10-22)16-30-24(13-14-25(30)31)26(32)29-15-18-5-11-23(12-6-18)35-17-20-1-7-21(8-2-20)27(33)34/h1-12,24H,13-17H2,(H,29,32)(H,33,34)/t24-/m0/s1
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National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539252
PNG
(CHEMBL4645606)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H25BrN2O5/c28-22-9-3-19(4-10-22)16-30-24(13-14-25(30)31)26(32)29-15-18-5-11-23(12-6-18)35-17-20-1-7-21(8-2-20)27(33)34/h1-12,24H,13-17H2,(H,29,32)(H,33,34)/t24-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539284
PNG
(CHEMBL4639562)
Show SMILES O=C(NCc1ccccc1)[C@@H]1CCCN1Cc1ccc(OCc2ccc(cc2)-c2nn[nH]n2)cc1 |r|
Show InChI InChI=1S/C27H28N6O2/c34-27(28-17-20-5-2-1-3-6-20)25-7-4-16-33(25)18-21-10-14-24(15-11-21)35-19-22-8-12-23(13-9-22)26-29-31-32-30-26/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,34)(H,29,30,31,32)/t25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair
Ataxin-2


(Mus musculus)
BDBM50539251
PNG
(CHEMBL4643344)
Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H26N2O5/c30-25-15-14-24(29(25)17-20-4-2-1-3-5-20)26(31)28-16-19-8-12-23(13-9-19)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24H,14-18H2,(H,28,31)(H,32,33)/t24-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV
More data for this
Ligand-Target Pair