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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 831   
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
Eukaryotic elongation factor 2 kinase


(Homo sapiens (Human))
BDBM293963
PNG
(US10106552, Compound 38)
Show SMILES CC1(C)CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1cncs1
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)
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n/an/a 300n/an/an/an/an/an/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))
BDBM293953
PNG
(US10106552, Compound 28)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1cncs1
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)
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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
PNG
(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)
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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))
BDBM293965
PNG
(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)
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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
PNG
(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)
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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))
BDBM293966
PNG
(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)
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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))
BDBM293954
PNG
(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)
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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))
BDBM293950
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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))
BDBM293968
PNG
(US10106552, Compound 43)
Show SMILES NC(=O)c1sc2nc3C4CCC(C4)c3c(-c3cncs3)c2c1N
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)
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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
PNG
(US10106552, Compound 18)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccsc1
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)
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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))
BDBM293935
PNG
(US10106552, Compound 10)
Show SMILES CC1(C)CCc2c(C1)nc1sc(C(N)=O)c(N)c1c2-c1ccco1
Show InChI InChI=1S/C18H19N3O2S/c1-18(2)6-5-9-10(8-18)21-17-13(12(9)11-4-3-7-23-11)14(19)15(24-17)16(20)22/h3-4,7H,5-6,8,19H2,1-2H3,(H2,20,22)
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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))
BDBM293951
PNG
(US10106552, Compound 26)
Show SMILES CCC(C)c1c2CCC(C)(C)c2nc2sc(C(N)=O)c(N)c12
Show InChI InChI=1S/C17H23N3OS/c1-5-8(2)10-9-6-7-17(3,4)14(9)20-16-11(10)12(18)13(22-16)15(19)21/h8H,5-7,18H2,1-4H3,(H2,19,21)
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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))
BDBM293927
PNG
(US10106552, Compound 2)
Show SMILES CC1(C)CCc2nc3sc(C(N)=O)c(N)c3c(-c3ccc(Cl)o3)c2C1
Show InChI InChI=1S/C18H18ClN3O2S/c1-18(2)6-5-9-8(7-18)12(10-3-4-11(19)24-10)13-14(20)15(16(21)23)25-17(13)22-9/h3-4H,5-7,20H2,1-2H3,(H2,21,23)
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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))
BDBM293958
PNG
(US10106552, Compound 33)
Show SMILES CC1(C)CCc2nc3sc(C(N)=O)c(N)c3c(-c3cncs3)c2C1
Show InChI InChI=1S/C17H18N4OS2/c1-17(2)4-3-9-8(5-17)11(10-6-20-7-23-10)12-13(18)14(15(19)22)24-16(12)21-9/h6-7H,3-5,18H2,1-2H3,(H2,19,22)
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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))
BDBM293944
PNG
(US10106552, Compound 19)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2C1CC1
Show InChI InChI=1S/C16H19N3OS/c1-16(2)6-5-8-9(7-3-4-7)10-11(17)12(14(18)20)21-15(10)19-13(8)16/h7H,3-6,17H2,1-2H3,(H2,18,20)
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))
BDBM293942
PNG
(US10106552, Compound 17)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccoc1
Show InChI InChI=1S/C17H17N3O2S/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))
BDBM293931
PNG
(US10106552, Compound 6)
Show SMILES CC1(C)CCc2nc3sc(C(N)=O)c(N)c3c(-c3ccco3)c2C1
Show InChI InChI=1S/C18H19N3O2S/c1-18(2)6-5-10-9(8-18)12(11-4-3-7-23-11)13-14(19)15(16(20)22)24-17(13)21-10/h3-4,7H,5-6,8,19H2,1-2H3,(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))
BDBM293949
PNG
(US10106552, Compound 24)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccc(Cl)s1
Show InChI InChI=1S/C17H16ClN3OS2/c1-17(2)6-5-7-10(8-3-4-9(18)23-8)11-12(19)13(15(20)22)24-16(11)21-14(7)17/h3-4H,5-6,19H2,1-2H3,(H2,20,22)
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/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))
BDBM293964
PNG
(US10106552, Compound 39)
Show SMILES Cn1cc(cn1)-c1c2CCCC(C)(C)c2nc2sc(C(N)=O)c(N)c12
Show InChI InChI=1S/C18H21N5OS/c1-18(2)6-4-5-10-11(9-7-21-23(3)8-9)12-13(19)14(16(20)24)25-17(12)22-15(10)18/h7-8H,4-6,19H2,1-3H3,(H2,20,24)
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US Patent
n/an/a 1.40E+3n/an/an/an/an/an/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))
BDBM293952
PNG
(US10106552, Compound 27)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccc(Br)s1
Show InChI InChI=1S/C17H16BrN3OS2/c1-17(2)6-5-7-10(8-3-4-9(18)23-8)11-12(19)13(15(20)22)24-16(11)21-14(7)17/h3-4H,5-6,19H2,1-2H3,(H2,20,22)
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n/an/a 1.50E+3n/an/an/an/an/an/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))
BDBM293932
PNG
(US10106552, Compound 7)
Show SMILES CC1(C)CCc2c(C1)nc1sc(C(N)=O)c(N)c1c2-c1ccc(Cl)o1
Show InChI InChI=1S/C18H18ClN3O2S/c1-18(2)6-5-8-9(7-18)22-17-13(14(20)15(25-17)16(21)23)12(8)10-3-4-11(19)24-10/h3-4H,5-7,20H2,1-2H3,(H2,21,23)
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n/an/a 1.60E+3n/an/an/an/an/an/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))
BDBM293948
PNG
(US10106552, Compound 23)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1nccs1
Show InChI InChI=1S/C16H16N4OS2/c1-16(2)4-3-7-8(14-19-5-6-22-14)9-10(17)11(13(18)21)23-15(9)20-12(7)16/h5-6H,3-4,17H2,1-2H3,(H2,18,21)
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n/an/a 2.00E+3n/an/an/an/an/an/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))
BDBM293946
PNG
(US10106552, Compound 21)
Show SMILES CC1(C)CCc2nc3sc(C(N)=O)c(N)c3c(-c3ccoc3)c2C1
Show InChI InChI=1S/C18H19N3O2S/c1-18(2)5-3-11-10(7-18)12(9-4-6-23-8-9)13-14(19)15(16(20)22)24-17(13)21-11/h4,6,8H,3,5,7,19H2,1-2H3,(H2,20,22)
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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))
BDBM293945
PNG
(US10106552, Compound 20)
Show SMILES CC1(C)CCc2nc3sc(C(N)=O)c(N)c3c(-c3ccsc3)c2C1
Show InChI InChI=1S/C18H19N3OS2/c1-18(2)5-3-11-10(7-18)12(9-4-6-23-8-9)13-14(19)15(16(20)22)24-17(13)21-11/h4,6,8H,3,5,7,19H2,1-2H3,(H2,20,22)
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n/an/a 2.20E+3n/an/an/an/an/an/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))
BDBM293934
PNG
(US10106552, Compound 9)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccc(Cl)o1
Show InChI InChI=1S/C17H16ClN3O2S/c1-17(2)6-5-7-10(8-3-4-9(18)23-8)11-12(19)13(15(20)22)24-16(11)21-14(7)17/h3-4H,5-6,19H2,1-2H3,(H2,20,22)
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n/an/a 2.40E+3n/an/an/an/an/an/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))
BDBM293940
PNG
(US10106552, Compound 15)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccco1
Show InChI InChI=1S/C17H17N3O2S/c1-17(2)6-5-8-10(9-4-3-7-22-9)11-12(18)13(15(19)21)23-16(11)20-14(8)17/h3-4,7H,5-6,18H2,1-2H3,(H2,19,21)
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n/an/a 2.50E+3n/an/an/an/an/an/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))
BDBM293926
PNG
(US10106552, Compound 1)
Show SMILES CC1(C)C\C(=C/c2ccc(Cl)o2)c2nc3sc(C(N)=O)c(N)c3c(-c3ccc(Cl)o3)c2C1
Show InChI InChI=1S/C23H19Cl2N3O3S/c1-23(2)8-10(7-11-3-5-14(24)30-11)19-12(9-23)16(13-4-6-15(25)31-13)17-18(26)20(21(27)29)32-22(17)28-19/h3-7H,8-9,26H2,1-2H3,(H2,27,29)/b10-7+
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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))
BDBM293967
PNG
(US10106552, Compound 42)
Show SMILES NC(=O)c1sc2nc3c(CCCC33CCCC3)c(-c3cncs3)c2c1N
Show InChI InChI=1S/C19H20N4OS2/c20-14-13-12(11-8-22-9-25-11)10-4-3-7-19(5-1-2-6-19)16(10)23-18(13)26-15(14)17(21)24/h8-9H,1-7,20H2,(H2,21,24)
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n/an/a 3.10E+3n/an/an/an/an/an/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))
BDBM293955
PNG
(US10106552, Compound 30)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1cscn1
Show InChI InChI=1S/C16H16N4OS2/c1-16(2)4-3-7-9(8-5-22-6-19-8)10-11(17)12(14(18)21)23-15(10)20-13(7)16/h5-6H,3-4,17H2,1-2H3,(H2,18,21)
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n/an/a 3.40E+3n/an/an/an/an/an/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))
BDBM293956
PNG
(US10106552, Compound 31)
Show SMILES CC1(C)CCc2c1nc1sc(C(N)=O)c(N)c1c2-c1cocn1
Show InChI InChI=1S/C16H16N4O2S/c1-16(2)4-3-7-9(8-5-22-6-19-8)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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n/an/a 3.50E+3n/an/an/an/an/an/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))
BDBM293957
PNG
(US10106552, Compound 32)
Show SMILES Cc1csc(n1)-c1c2CCC(C)(C)c2nc2sc(C(N)=O)c(N)c12
Show InChI InChI=1S/C17H18N4OS2/c1-7-6-23-15(20-7)9-8-4-5-17(2,3)13(8)21-16-10(9)11(18)12(24-16)14(19)22/h6H,4-5,18H2,1-3H3,(H2,19,22)
PDB

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n/an/a 3.80E+3n/an/an/an/an/an/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))
BDBM293941
PNG
(US10106552, Compound 16)
Show SMILES CC1CC(C)(C)Cc2nc3sc(C(N)=O)c(N)c3c(-c3ccco3)c12
Show InChI InChI=1S/C19H21N3O2S/c1-9-7-19(2,3)8-10-12(9)13(11-5-4-6-24-11)14-15(20)16(17(21)23)25-18(14)22-10/h4-6,9H,7-8,20H2,1-3H3,(H2,21,23)
PDB

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n/an/a 4.60E+3n/an/an/an/an/an/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))
BDBM293933
PNG
(US10106552, Compound 8)
Show SMILES CC1(C)CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccc(Cl)o1
Show InChI InChI=1S/C18H18ClN3O2S/c1-18(2)7-3-4-8-11(9-5-6-10(19)24-9)12-13(20)14(16(21)23)25-17(12)22-15(8)18/h5-6H,3-4,7,20H2,1-2H3,(H2,21,23)
PDB

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n/an/a 4.70E+3n/an/an/an/an/an/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))
BDBM293937
PNG
(US10106552, Compound 12)
Show SMILES CC1CC(C)(C)Cc2nc3sc(C(N)=O)c(N)c3c(-c3ccc(Cl)o3)c12
Show InChI InChI=1S/C19H20ClN3O2S/c1-8-6-19(2,3)7-9-12(8)13(10-4-5-11(20)25-10)14-15(21)16(17(22)24)26-18(14)23-9/h4-5,8H,6-7,21H2,1-3H3,(H2,22,24)
PDB

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n/an/a 5.00E+3n/an/an/an/an/an/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))
BDBM293947
PNG
(US10106552, Compound 22)
Show SMILES CC1(C)C\C(=C/c2ccoc2)c2nc3sc(C(N)=O)c(N)c3c(-c3ccoc3)c2C1
Show InChI InChI=1S/C23H21N3O3S/c1-23(2)8-14(7-12-3-5-28-10-12)19-15(9-23)16(13-4-6-29-11-13)17-18(24)20(21(25)27)30-22(17)26-19/h3-7,10-11H,8-9,24H2,1-2H3,(H2,25,27)/b14-7+
PDB

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n/an/a 6.00E+3n/an/an/an/an/an/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))
BDBM293930
PNG
(US10106552, Compound 5)
Show SMILES CCCC1C\C(=C/c2ccc(Cl)o2)c2nc3sc(C(N)=O)c(N)c3c(-c3ccc(Cl)o3)c2C1
Show InChI InChI=1S/C24H21Cl2N3O3S/c1-2-3-11-8-12(10-13-4-6-16(25)31-13)21-14(9-11)18(15-5-7-17(26)32-15)19-20(27)22(23(28)30)33-24(19)29-21/h4-7,10-11H,2-3,8-9,27H2,1H3,(H2,28,30)/b12-10+
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))
BDBM293936
PNG
(US10106552, Compound 11)
Show SMILES CC1(C)CCc2c(C1)nc1sc(C(N)=O)c(N)c1c2-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2N3OS/c1-20(2)6-5-10-13(8-20)25-19-15(16(23)17(27-19)18(24)26)14(10)9-3-4-11(21)12(22)7-9/h3-4,7H,5-6,8,23H2,1-2H3,(H2,24,26)
PDB

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n/an/a 2.30E+4n/an/an/an/an/an/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))
BDBM293938
PNG
(US10106552, Compound 13)
Show SMILES NC(=O)c1sc2nc3C(CCCc3c(-c3ccc(Cl)o3)c2c1N)c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2S/c23-15-10-9-14(28-15)16-13-8-4-7-12(11-5-2-1-3-6-11)19(13)26-22-17(16)18(24)20(29-22)21(25)27/h1-3,5-6,9-10,12H,4,7-8,24H2,(H2,25,27)
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))
BDBM293939
PNG
(US10106552, Compound 14)
Show SMILES CC1(C)C\C(=C/c2cccc(Cl)c2F)c2nc3sc(C(N)=O)c(N)c3c(c2C1)-c1cccc(Cl)c1F |(-5.21,1.54,;-3.67,1.54,;-3.67,3.08,;-3.67,,;-2.34,-.77,;-2.34,-2.31,;-3.67,-3.08,;-5.01,-2.31,;-6.34,-3.08,;-6.34,-4.62,;-5.01,-5.39,;-5.01,-6.93,;-3.67,-4.62,;-2.34,-5.39,;-1.01,,;.33,-.77,;1.66,,;3.13,-.48,;4.03,.77,;5.57,.77,;6.34,2.1,;6.34,-.56,;3.13,2.02,;3.9,3.35,;1.66,1.54,;.33,2.31,;-1.01,1.54,;-2.34,2.31,;.33,3.85,;1.66,4.62,;1.66,6.16,;.33,6.93,;-1.01,6.16,;-2.34,6.93,;-1.01,4.62,;-2.34,3.85,)|
Show InChI InChI=1S/C27H21Cl2F2N3OS/c1-27(2)10-13(9-12-5-3-7-16(28)20(12)30)23-15(11-27)18(14-6-4-8-17(29)21(14)31)19-22(32)24(25(33)35)36-26(19)34-23/h3-9H,10-11,32H2,1-2H3,(H2,33,35)/b13-9+
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US Patent
n/an/a 5.02E+6n/an/an/an/an/an/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))
BDBM293929
PNG
(US10106552, Compound 4)
Show SMILES NC(=O)c1sc2nc3CCC(Cc3c(-c3ccc(Cl)o3)c2c1N)c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2S/c23-16-9-8-15(28-16)17-13-10-12(11-4-2-1-3-5-11)6-7-14(13)26-22-18(17)19(24)20(29-22)21(25)27/h1-5,8-9,12H,6-7,10,24H2,(H2,25,27)
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n/an/a 1.00E+7n/an/an/an/an/an/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))
BDBM293928
PNG
(US10106552, Compound 3)
Show SMILES NC(=O)c1sc2nc3\C(CC(Cc3c(-c3ccc(Cl)o3)c2c1N)c1ccccc1)=C\c1ccc(Cl)o1
Show InChI InChI=1S/C27H19Cl2N3O3S/c28-19-8-6-16(34-19)11-15-10-14(13-4-2-1-3-5-13)12-17-21(18-7-9-20(29)35-18)22-23(30)25(26(31)33)36-27(22)32-24(15)17/h1-9,11,14H,10,12,30H2,(H2,31,33)/b15-11+
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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