Found 191 hits of ic50 for UniProtKB: O00418 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50442757
(CHEMBL2443026)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1 Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38) | PDB
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Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of eEF2K (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50442758
(CHEMBL2443139)Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32) | PDB
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Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of eEF2K (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50442759
(CHEMBL2443138)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31) | PDB
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Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of eEF2K (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50442760
(CHEMBL2443044)Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29) | PDB
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| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of eEF2K (unknown origin) |
Bioorg Med Chem 21: 7047-63 (2013)
Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50600470
(CHEMBL5174034) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50284911
(CHEMBL4171806)Show SMILES [I-].CCCCCCCCCCCCCCCC[N+]1=C(C)N(Cc2ccccc2)CC1 |c:16| Show InChI InChI=1S/C27H47N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27/h16-18,20-21H,3-15,19,22-25H2,1-2H3/q+1 | PDB
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Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human eEF2K expressed in Escherichia coli using biotinylated myelin basic protein as substrate after ... |
Eur J Med Chem 143: 402-418 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.065
BindingDB Entry DOI: 10.7270/Q28C9ZS6 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50555899
(CHEMBL1683636)Show SMILES [I-].CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C | PDB
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TBA
| Assay Description
Inhibition of eEF2K (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112505
BindingDB Entry DOI: 10.7270/Q2M90D99 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50600471
(CHEMBL5204448)Show SMILES Clc1ccc(cc1)S(=O)(=O)C1(CC1)S(=O)(=O)c1ccc(Cl)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314444
(2-(4-chlorophenyl)-10-thia-5,7,12-triazatetracyclo...)Show SMILES Nc1ncnc2c1sc1nc3CCCCCCCc3c(-c3ccc(Cl)cc3)c21 Show InChI InChI=1S/C22H21ClN4S/c23-14-10-8-13(9-11-14)17-15-6-4-2-1-3-5-7-16(15)27-22-18(17)19-20(28-22)21(24)26-12-25-19/h8-12H,1-7H2,(H2,24,25,26) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314436
(3-amino-4-(furan-2-yl)-6,7,8,9,10,11-hexahydro-5H-...)Show InChI InChI=1S/C19H21N3O2S/c20-16-15-14(13-9-6-10-24-13)11-7-4-2-1-3-5-8-12(11)22-19(15)25-17(16)18(21)23/h6,9-10H,1-5,7-8,20H2,(H2,21,23) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314406
(8-(morpholin-4-yl)-11-thia-9,14,16-triazatetracycl...)Show InChI InChI=1S/C17H19N5OS/c18-15-14-13(19-9-20-15)12-10-3-1-2-4-11(10)16(21-17(12)24-14)22-5-7-23-8-6-22/h9H,1-8H2,(H2,18,19,20) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314406
(8-(morpholin-4-yl)-11-thia-9,14,16-triazatetracycl...)Show InChI InChI=1S/C17H19N5OS/c18-15-14-13(19-9-20-15)12-10-3-1-2-4-11(10)16(21-17(12)24-14)22-5-7-23-8-6-22/h9H,1-8H2,(H2,18,19,20) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50600472
(CHEMBL5194579) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50053584
(CHEMBL1977874)Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | PDB
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TBA
| Assay Description
Inhibition of eEF2K (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112505
BindingDB Entry DOI: 10.7270/Q2M90D99 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314427
(3-amino-4-(5-chlorofuran-2-yl)-5,6,7,8,9,10-hexahy...)Show InChI InChI=1S/C18H18ClN3O2S/c19-12-8-7-11(24-12)13-9-5-3-1-2-4-6-10(9)22-18-14(13)15(20)16(25-18)17(21)23/h7-8H,1-6,20H2,(H2,21,23) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50053584
(CHEMBL1977874)Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description
ATP competitive inhibition of human eEF-2K using 5 uM ATP |
Bioorg Med Chem 22: 4910-6 (2014)
Article DOI: 10.1016/j.bmc.2014.06.050
BindingDB Entry DOI: 10.7270/Q2XD139S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293963
(US10106552, Compound 38)Show InChI InChI=1S/C17H18N4OS2/c1-17(2)5-3-4-8-10(9-6-20-7-23-9)11-12(18)13(15(19)22)24-16(11)21-14(8)17/h6-7H,3-5,18H2,1-2H3,(H2,19,22) | PDB
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| US Patent
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314428
(3-amino-4-(5-(trifluoromethyl)furan-2-yl)-5,6,7,8,...)Show SMILES NC(=O)c1sc2nc3CCCCCCc3c(-c3ccc(o3)C(F)(F)F)c2c1N Show InChI InChI=1S/C19H18F3N3O2S/c20-19(21,22)12-8-7-11(27-12)13-9-5-3-1-2-4-6-10(9)25-18-14(13)15(23)16(28-18)17(24)26/h7-8H,1-6,23H2,(H2,24,26) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50555900
(CHEMBL4776943)Show SMILES [#6]-[#6](-[#6])-[#6]1-[#6]C([#6])([#8])[#7]=[#6]([Se;v2]1)-c1ccc(-[#6])cc1 |c:8| | PDB
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TBA
| Assay Description
Inhibition of eEF2K (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112505
BindingDB Entry DOI: 10.7270/Q2M90D99 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314419
((E)-3-amino-4-(2-(furan-2-yl)vinyl)-5,6,7,8,9,10-h...)Show InChI InChI=1S/C20H21N3O2S/c21-17-16-14(10-9-12-6-5-11-25-12)13-7-3-1-2-4-8-15(13)23-20(16)26-18(17)19(22)24/h5-6,9-11H,1-4,7-8,21H2,(H2,22,24)/b10-9+ | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314429
(3-amino-4-(benzofuran-2-yl)-5,6,7,8,9,10-hexahydro...)Show SMILES NC(=O)c1sc2nc3CCCCCCc3c(-c3cc4ccccc4o3)c2c1N Show InChI InChI=1S/C22H21N3O2S/c23-19-18-17(16-11-12-7-5-6-10-15(12)27-16)13-8-3-1-2-4-9-14(13)25-22(18)28-20(19)21(24)26/h5-7,10-11H,1-4,8-9,23H2,(H2,24,26) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314442
(2-(furan-2-yl)-10-thia-5,7,12-triazatetracyclo[11....)Show InChI InChI=1S/C20H20N4OS/c21-19-18-17(22-11-23-19)16-15(14-9-6-10-25-14)12-7-4-2-1-3-5-8-13(12)24-20(16)26-18/h6,9-11H,1-5,7-8H2,(H2,21,22,23) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293965
(US10106552, Compound 40)Show SMILES Cc1ncsc1-c1c2CCC(C)(C)c2nc2sc(C(N)=O)c(N)c12 |(-3.73,1.78,;-2.4,2.55,;-1.92,4.01,;-.38,4.01,;.09,2.55,;-1.15,1.64,;-1.15,.1,;-2.49,-.67,;-3.95,-.19,;-4.86,-1.44,;-3.95,-2.68,;-4.72,-4.01,;-3.18,-4.01,;-2.49,-2.21,;-1.15,-2.98,;.18,-2.21,;1.64,-2.68,;2.55,-1.44,;4.09,-1.44,;4.86,-.1,;4.86,-2.77,;1.64,-.19,;2.41,1.14,;.18,-.67,)| Show InChI InChI=1S/C17H18N4OS2/c1-7-12(23-6-20-7)9-8-4-5-17(2,3)14(8)21-16-10(9)11(18)13(24-16)15(19)22/h6H,4-5,18H2,1-3H3,(H2,19,22) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293961
(US10106552, Compound 36)Show SMILES CC1CC(C)(C)Cc2nc3sc(C(N)=O)c(N)c3c(-c3cncs3)c12 Show InChI InChI=1S/C18H20N4OS2/c1-8-4-18(2,3)5-9-11(8)12(10-6-21-7-24-10)13-14(19)15(16(20)23)25-17(13)22-9/h6-8H,4-5,19H2,1-3H3,(H2,20,23) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293960
(US10106552, Compound 35)Show SMILES CC1(C)CCc2c(C1)nc1sc(C(N)=O)c(N)c1c2-c1cncs1 Show InChI InChI=1S/C17H18N4OS2/c1-17(2)4-3-8-9(5-17)21-16-12(11(8)10-6-20-7-23-10)13(18)14(24-16)15(19)22/h6-7H,3-5,18H2,1-2H3,(H2,19,22) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293953
(US10106552, Compound 28)Show InChI InChI=1S/C16H16N4OS2/c1-16(2)4-3-7-9(8-5-19-6-22-8)10-11(17)12(14(18)21)23-15(10)20-13(7)16/h5-6H,3-4,17H2,1-2H3,(H2,18,21) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50053584
(CHEMBL1977874)Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | PDB
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TBA
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Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50053584
(CHEMBL1977874)Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | PDB
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The University of Texas at Austin
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla... |
Bioorg Med Chem 22: 4910-6 (2014)
Article DOI: 10.1016/j.bmc.2014.06.050
BindingDB Entry DOI: 10.7270/Q2XD139S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50375667
(CHEMBL437612 | TX-1918)Show SMILES [#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#6]=[#6]-[#6]-2=O)cc(-[#6])c1-[#8] |c:8| Show InChI InChI=1S/C14H12O3/c1-8-5-10(6-9(2)14(8)17)7-11-12(15)3-4-13(11)16/h3-7,17H,1-2H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50375667
(CHEMBL437612 | TX-1918)Show SMILES [#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#6]=[#6]-[#6]-2=O)cc(-[#6])c1-[#8] |c:8| Show InChI InChI=1S/C14H12O3/c1-8-5-10(6-9(2)14(8)17)7-11-12(15)3-4-13(11)16/h3-7,17H,1-2H3 | PDB
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University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of eEF2 kinase |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50375667
(CHEMBL437612 | TX-1918)Show SMILES [#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#6]=[#6]-[#6]-2=O)cc(-[#6])c1-[#8] |c:8| Show InChI InChI=1S/C14H12O3/c1-8-5-10(6-9(2)14(8)17)7-11-12(15)3-4-13(11)16/h3-7,17H,1-2H3 | PDB
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Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of eEF2K in human A431 cells using eEF2 as substrate preincubated for 30 mins followed by ATP/[gamma-32P]-ATP addition measured after 10 m... |
Eur J Med Chem 143: 402-418 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.065
BindingDB Entry DOI: 10.7270/Q28C9ZS6 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314420
(3-amino-4-(3-methylthiophen-2-yl)-5,6,7,8,9,10-hex...)Show SMILES Cc1ccsc1-c1c2CCCCCCc2nc2sc(C(N)=O)c(N)c12 |(19.42,1.74,;17.96,2.21,;17.48,3.68,;15.94,3.68,;15.47,2.21,;16.72,1.31,;16.72,-.23,;15.39,-1,;14.31,.09,;12.76,.09,;11.67,-1,;11.67,-2.54,;12.77,-3.63,;14.31,-3.63,;15.39,-2.54,;16.72,-3.31,;18.05,-2.55,;19.53,-3.03,;20.44,-1.78,;21.98,-1.79,;22.76,-.45,;22.75,-3.12,;19.53,-.52,;20.01,.94,;18.05,-1,)| Show InChI InChI=1S/C19H21N3OS2/c1-10-8-9-24-16(10)13-11-6-4-2-3-5-7-12(11)22-19-14(13)15(20)17(25-19)18(21)23/h8-9H,2-7,20H2,1H3,(H2,21,23) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293966
(US10106552, Compound 41)Show SMILES Cc1nc(C)c(s1)-c1c2CCC(C)(C)c2nc2sc(C(N)=O)c(N)c12 |(.39,4.68,;-.38,3.35,;-1.92,3.35,;-2.4,1.88,;-3.73,1.11,;-1.15,.98,;.09,1.88,;-1.15,-.56,;-2.49,-1.33,;-3.95,-.86,;-4.86,-2.1,;-3.95,-3.35,;-4.72,-4.68,;-3.18,-4.68,;-2.49,-2.87,;-1.15,-3.64,;.18,-2.87,;1.64,-3.35,;2.55,-2.1,;4.09,-2.1,;4.86,-.77,;4.86,-3.44,;1.64,-.86,;2.41,.48,;.18,-1.33,)| Show InChI InChI=1S/C18H20N4OS2/c1-7-13(24-8(2)21-7)10-9-5-6-18(3,4)15(9)22-17-11(10)12(19)14(25-17)16(20)23/h5-6,19H2,1-4H3,(H2,20,23) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50053584
(CHEMBL1977874)Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | PDB
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Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of eEF2K (unknown origin) using peptide MH-1 as substrate after 2 hrs by ADP-Glo luminescent assay |
Eur J Med Chem 143: 402-418 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.065
BindingDB Entry DOI: 10.7270/Q28C9ZS6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314418
(3-amino-4-(furan-2-yl)-5,6,7,8,9,10-hexahydrocyclo...)Show InChI InChI=1S/C18H19N3O2S/c19-15-14-13(12-8-5-9-23-12)10-6-3-1-2-4-7-11(10)21-18(14)24-16(15)17(20)22/h5,8-9H,1-4,6-7,19H2,(H2,20,22) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314430
(3-amino-4-(5-ethylfuran-2-yl)-5,6,7,8,9,10-hexahyd...)Show SMILES CCc1ccc(o1)-c1c2CCCCCCc2nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C20H23N3O2S/c1-2-11-9-10-14(25-11)15-12-7-5-3-4-6-8-13(12)23-20-16(15)17(21)18(26-20)19(22)24/h9-10H,2-8,21H2,1H3,(H2,22,24) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293954
(US10106552, Compound 29)Show SMILES Cn1cc(cn1)-c1c2CCC(C)(C)c2nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C17H19N5OS/c1-17(2)5-4-9-10(8-6-20-22(3)7-8)11-12(18)13(15(19)23)24-16(11)21-14(9)17/h6-7H,4-5,18H2,1-3H3,(H2,19,23) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50464814
(CHEMBL4281348)Show SMILES CCNc1cc(ccn1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1C(F)(F)F Show InChI InChI=1S/C21H18ClF3N4O/c1-2-26-19-10-13(8-9-27-19)17-7-6-16(12-18(17)21(23,24)25)29-20(30)28-15-5-3-4-14(22)11-15/h3-12H,2H2,1H3,(H,26,27)(H2,28,29,30) | PDB
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TBA
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Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7 |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50464814
(CHEMBL4281348)Show SMILES CCNc1cc(ccn1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1C(F)(F)F Show InChI InChI=1S/C21H18ClF3N4O/c1-2-26-19-10-13(8-9-27-19)17-7-6-16(12-18(17)21(23,24)25)29-20(30)28-15-5-3-4-14(22)11-15/h3-12H,2H2,1H3,(H,26,27)(H2,28,29,30) | PDB
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Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EEF2K (unknown origin) using biotinylated EEF2 peptide substrate by HTRF assay |
Eur J Med Chem 144: 517-528 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.046
BindingDB Entry DOI: 10.7270/Q2QF8WJK |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293950
(US10106552, Compound 25)Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1cc(Br)cs1 Show InChI InChI=1S/C17H16BrN3OS2/c1-17(2)4-3-8-10(9-5-7(18)6-23-9)11-12(19)13(15(20)22)24-16(11)21-14(8)17/h5-6H,3-4,19H2,1-2H3,(H2,20,22) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293959
(US10106552, Compound 34)Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1sccc1Br |(-4.72,-4.01,;-3.95,-2.68,;-3.18,-4.01,;-4.86,-1.44,;-3.95,-.19,;-2.49,-.67,;-2.49,-2.21,;-1.15,-2.98,;.18,-2.21,;1.64,-2.68,;2.55,-1.44,;4.09,-1.44,;4.86,-.1,;4.86,-2.77,;1.64,-.19,;2.41,1.14,;.18,-.67,;-1.15,.1,;-1.15,1.64,;.09,2.55,;-.38,4.01,;-1.92,4.01,;-2.4,2.55,;-3.73,1.78,)| Show InChI InChI=1S/C17H16BrN3OS2/c1-17(2)5-3-7-9(12-8(18)4-6-23-12)10-11(19)13(15(20)22)24-16(10)21-14(7)17/h4,6H,3,5,19H2,1-2H3,(H2,20,22) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314431
(3-amino-4-(5-(hydroxymethyl)furan-2-yl)-5,6,7,8,9,...)Show InChI InChI=1S/C19H21N3O3S/c20-16-15-14(13-8-7-10(9-23)25-13)11-5-3-1-2-4-6-12(11)22-19(15)26-17(16)18(21)24/h7-8,23H,1-6,9,20H2,(H2,21,24) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314415
(4-(3-amino-2-carbamoyl-5,6,7,8,9,10-hexahydrocyclo...)Show SMILES NC(=O)c1sc2nc3CCCCCCc3c(-c3ccc(cc3)C(O)=O)c2c1N Show InChI InChI=1S/C21H21N3O3S/c22-17-16-15(11-7-9-12(10-8-11)21(26)27)13-5-3-1-2-4-6-14(13)24-20(16)28-18(17)19(23)25/h7-10H,1-6,22H2,(H2,23,25)(H,26,27) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314409
(3-amino-4-isobutyl-5,6,7,8,9,10-hexahydrocycloocta...)Show InChI InChI=1S/C18H25N3OS/c1-10(2)9-12-11-7-5-3-4-6-8-13(11)21-18-14(12)15(19)16(23-18)17(20)22/h10H,3-9,19H2,1-2H3,(H2,20,22) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293968
(US10106552, Compound 43)Show InChI InChI=1S/C16H14N4OS2/c17-12-11-10(8-4-19-5-22-8)9-6-1-2-7(3-6)13(9)20-16(11)23-14(12)15(18)21/h4-7H,1-3,17H2,(H2,18,21) | PDB
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| US Patent
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293962
(US10106552, Compound 37)Show SMILES CC1(C)CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1cc(Br)co1 Show InChI InChI=1S/C18H18BrN3O2S/c1-18(2)5-3-4-9-11(10-6-8(19)7-24-10)12-13(20)14(16(21)23)25-17(12)22-15(9)18/h6-7H,3-5,20H2,1-2H3,(H2,21,23) | PDB
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| US Patent
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM293943
(US10106552, Compound 18)Show InChI InChI=1S/C17H17N3OS2/c1-17(2)5-3-9-10(8-4-6-22-7-8)11-12(18)13(15(19)21)23-16(11)20-14(9)17/h4,6-7H,3,5,18H2,1-2H3,(H2,19,21) | PDB
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Longevica Pharmaceuticals, Inc.
US Patent
| Assay Description
To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-bindin... |
US Patent US10106552 (2018)
BindingDB Entry DOI: 10.7270/Q25M67SV |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50053583
(CHEMBL3327225)Show InChI InChI=1S/C14H17N5O3/c1-2-5-18-13(21)9-6-8(11(16)20)10(15)17-12(9)19(14(18)22)7-3-4-7/h6-7H,2-5H2,1H3,(H2,15,17)(H2,16,20) | PDB
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The University of Texas at Austin
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla... |
Bioorg Med Chem 22: 4910-6 (2014)
Article DOI: 10.1016/j.bmc.2014.06.050
BindingDB Entry DOI: 10.7270/Q2XD139S |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314421
(3-amino-4-(pyridin-3-yl)-5,6,7,8,9,10-hexahydrocyc...)Show InChI InChI=1S/C19H20N4OS/c20-16-15-14(11-6-5-9-22-10-11)12-7-3-1-2-4-8-13(12)23-19(15)25-17(16)18(21)24/h5-6,9-10H,1-4,7-8,20H2,(H2,21,24) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
Eukaryotic elongation factor 2 kinase
(Homo sapiens (Human)) | BDBM50314422
(3-amino-4-(1-methyl-1H-pyrrol-2-yl)-5,6,7,8,9,10-h...)Show SMILES Cn1cccc1-c1c2CCCCCCc2nc2sc(C(N)=O)c(N)c12 |(14.66,-10.94,;16.12,-10.46,;16.59,-8.99,;18.13,-8.99,;18.61,-10.46,;17.37,-11.36,;17.38,-12.9,;16.05,-13.67,;14.96,-12.58,;13.42,-12.58,;12.33,-13.67,;12.33,-15.21,;13.42,-16.3,;14.96,-16.3,;16.04,-15.21,;17.37,-15.98,;18.7,-15.22,;20.18,-15.7,;21.1,-14.45,;22.64,-14.46,;23.41,-13.12,;23.4,-15.79,;20.19,-13.19,;20.67,-11.73,;18.71,-13.67,)| Show InChI InChI=1S/C19H22N4OS/c1-23-10-6-9-13(23)14-11-7-4-2-3-5-8-12(11)22-19-15(14)16(20)17(25-19)18(21)24/h6,9-10H,2-5,7-8,20H2,1H3,(H2,21,24) | PDB
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Myriad Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method |
Bioorg Med Chem Lett 20: 2283-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.005
BindingDB Entry DOI: 10.7270/Q2F18ZVT |
More data for this
Ligand-Target Pair | |
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