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Compile Data Set for Download or QSAR

Found 454 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic translation initiation factor 2-alpha kinase 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396536
PNG
(CHEMBL2171122)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H20ClN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-5-6-19-16(11-15)7-8-29(19)20(30)10-14-3-2-4-17(24)9-14/h2-6,9,11-13H,7-8,10H2,1H3,(H2,25,26,27)
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396532
PNG
(CHEMBL2171126)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc12
Show InChI InChI=1S/C23H18F3N5O/c1-30-10-16(20-22(27)28-11-29-23(20)30)12-2-3-18-13(6-12)4-5-31(18)19(32)8-14-7-15(24)9-17(25)21(14)26/h2-3,6-7,9-11H,4-5,8H2,1H3,(H2,27,28,29)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396539
PNG
(CHEMBL2171144)
Show SMILES Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-4-3-5-16(10-15)11-21(30)29-9-8-18-12-17(6-7-20(18)29)19-13-28(2)24-22(19)23(25)26-14-27-24/h3-7,10,12-14H,8-9,11H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396540
PNG
(CHEMBL2171143)
Show SMILES Cc1ccccc1CC(=O)N1CCc2cc(ccc12)-c1cn(C)c2ncnc(N)c12
Show InChI InChI=1S/C24H23N5O/c1-15-5-3-4-6-16(15)12-21(30)29-10-9-18-11-17(7-8-20(18)29)19-13-28(2)24-22(19)23(25)26-14-27-24/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396542
PNG
(CHEMBL2171141)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H20FN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-5-6-19-16(11-15)7-8-29(19)20(30)10-14-3-2-4-17(24)9-14/h2-6,9,11-13H,7-8,10H2,1H3,(H2,25,26,27)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396533
PNG
(CHEMBL2171125)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043288
PNG
(CHEMBL3355039)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c2cc1OC
Show InChI InChI=1S/C26H22F2N4O3/c1-34-23-12-19-21(13-24(23)35-2)29-14-30-26(19)31-18-4-6-22-15(10-18)7-8-32(22)25(33)11-16-9-17(27)3-5-20(16)28/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,29,30,31)
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n/an/a 0.398n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396544
PNG
(CHEMBL2171139)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12
Show InChI InChI=1S/C23H19F2N5O/c1-29-11-17(21-22(26)27-12-28-23(21)29)13-2-5-19-14(8-13)6-7-30(19)20(31)10-15-9-16(24)3-4-18(15)25/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,26,27,28)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396534
PNG
(CHEMBL2171124)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396534
PNG
(CHEMBL2171124)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50442162
PNG
(CHEMBL2441342)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30)
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TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50442165
PNG
(CHEMBL2441341)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C23H19F3N6O/c1-31-11-16(20-21(27)28-12-29-22(20)31)13-5-6-17-14(9-13)7-8-32(17)19(33)10-15-3-2-4-18(30-15)23(24,25)26/h2-6,9,11-12H,7-8,10H2,1H3,(H2,27,28,29)
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TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396535
PNG
(CHEMBL2171123)
Show SMILES COc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1
Show InChI InChI=1S/C24H23N5O2/c1-28-13-19(22-23(25)26-14-27-24(22)28)16-6-7-20-17(12-16)8-9-29(20)21(30)11-15-4-3-5-18(10-15)31-2/h3-7,10,12-14H,8-9,11H2,1-2H3,(H2,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396548
PNG
(CHEMBL2171135)
Show SMILES Nc1ncnc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12
Show InChI InChI=1S/C22H16F2N4OS/c23-15-2-3-17(24)14(8-15)9-19(29)28-6-5-13-7-12(1-4-18(13)28)16-10-30-22-20(16)21(25)26-11-27-22/h1-4,7-8,10-11H,5-6,9H2,(H2,25,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043290
PNG
(CHEMBL3355038)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c(C)[nH]c4cc(F)ccc34)c2cc1OC
Show InChI InChI=1S/C29H26FN5O3/c1-16-21(20-6-4-18(30)11-24(20)33-16)13-28(36)35-9-8-17-10-19(5-7-25(17)35)34-29-22-12-26(37-2)27(38-3)14-23(22)31-15-32-29/h4-7,10-12,14-15,33H,8-9,13H2,1-3H3,(H,31,32,34)
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n/an/a 0.631n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396543
PNG
(CHEMBL2171140)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2F)c2c(N)ncnc12
Show InChI InChI=1S/C23H20FN5O/c1-28-12-17(21-22(25)26-13-27-23(21)28)14-6-7-19-16(10-14)8-9-29(19)20(30)11-15-4-2-3-5-18(15)24/h2-7,10,12-13H,8-9,11H2,1H3,(H2,25,26,27)
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n/an/a 0.700n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043027
PNG
(CHEMBL3355037)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OC
Show InChI InChI=1S/C29H27N5O3/c1-17-21(20-6-4-5-7-23(20)32-17)14-28(35)34-11-10-18-12-19(8-9-25(18)34)33-29-22-13-26(36-2)27(37-3)15-24(22)30-16-31-29/h4-9,12-13,15-16,32H,10-11,14H2,1-3H3,(H,30,31,33)
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n/an/a 0.794n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50442166
PNG
(CHEMBL2441340)
Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)
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TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396550
PNG
(CHEMBL2171131)
Show SMILES Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Show InChI InChI=1S/C26H21N5OS/c27-26-24-21(15-33-25(24)20(14-28-26)19-12-29-30-13-19)17-6-7-22-18(11-17)8-9-31(22)23(32)10-16-4-2-1-3-5-16/h1-7,11-15H,8-10H2,(H2,27,28)(H,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396537
PNG
(CHEMBL2171121)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2Cl)c2c(N)ncnc12
Show InChI InChI=1S/C23H20ClN5O/c1-28-12-17(21-22(25)26-13-27-23(21)28)14-6-7-19-16(10-14)8-9-29(19)20(30)11-15-4-2-3-5-18(15)24/h2-7,10,12-13H,8-9,11H2,1H3,(H2,25,26,27)
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072072
PNG
(CHEMBL3407849)
Show SMILES CNc1ncc2ccc(Oc3cc(ccc3C)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
Show InChI InChI=1S/C33H27N5O3/c1-21-14-15-23(18-28(21)41-26-17-16-24-20-35-33(34-2)36-27(24)19-26)31(39)29-30(22-10-6-4-7-11-22)37(3)38(32(29)40)25-12-8-5-9-13-25/h4-20H,1-3H3,(H,34,35,36)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PERK


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043157
PNG
(CHEMBL3355046)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3F)C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OC
Show InChI InChI=1S/C29H26FN5O3/c1-16-19(17-6-4-5-7-21(17)33-16)13-27(36)35-11-10-18-24(35)9-8-22(28(18)30)34-29-20-12-25(37-2)26(38-3)14-23(20)31-15-32-29/h4-9,12,14-15,33H,10-11,13H2,1-3H3,(H,31,32,34)
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n/an/a 1n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072075
PNG
(CHEMBL3407846)
Show SMILES Cn1cc(-c2ccc3N(CC(=O)c4cc(F)cc(c4)C(F)(F)F)CCc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H19F4N5O/c1-32-10-18(21-22(29)30-12-31-23(21)32)13-2-3-19-14(6-13)4-5-33(19)11-20(34)15-7-16(24(26,27)28)9-17(25)8-15/h2-3,6-10,12H,4-5,11H2,1H3,(H2,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396552
PNG
(CHEMBL2171129)
Show SMILES Nc1ncc(-c2ccncc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Show InChI InChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-9,11-12,15-17H,10,13-14H2,(H2,29,31)
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396531
PNG
(CHEMBL2171132)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc2N(CCc2c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C27H23N5OS/c1-31-15-20(13-30-31)21-14-29-27(28)25-22(16-34-26(21)25)18-7-8-23-19(12-18)9-10-32(23)24(33)11-17-5-3-2-4-6-17/h2-8,12-16H,9-11H2,1H3,(H2,28,29)
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396541
PNG
(CHEMBL2171142)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C23H20FN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-4-7-19-16(11-15)8-9-29(19)20(30)10-14-2-5-17(24)6-3-14/h2-7,11-13H,8-10H2,1H3,(H2,25,26,27)
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043286
PNG
(CHEMBL3355040)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c(C)[nH]c4c(F)cccc34)c2cc1OC
Show InChI InChI=1S/C29H26FN5O3/c1-16-20(19-5-4-6-22(30)28(19)33-16)13-27(36)35-10-9-17-11-18(7-8-24(17)35)34-29-21-12-25(37-2)26(38-3)14-23(21)31-15-32-29/h4-8,11-12,14-15,33H,9-10,13H2,1-3H3,(H,31,32,34)
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n/an/a 1.60n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396551
PNG
(CHEMBL2171130)
Show SMILES Nc1ncc(C2CCNCC2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Show InChI InChI=1S/C28H28N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-7,15-17,19,30H,8-14H2,(H2,29,31)
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n/an/a 1.90n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50442164
PNG
(CHEMBL2441345)
Show SMILES Cc1cc(C)n(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1
Show InChI InChI=1S/C22H23N7O/c1-13-8-14(2)29(26-13)11-19(30)28-7-6-16-9-15(4-5-18(16)28)17-10-27(3)22-20(17)21(23)24-12-25-22/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,23,24,25)
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072038
PNG
(CHEMBL3407863)
Show SMILES Cc1nc(N)c2c(cn(C)c2n1)-c1ccc2N(CC(=O)c3cc(F)cc(c3)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C25H21F4N5O/c1-13-31-23(30)22-19(11-33(2)24(22)32-13)14-3-4-20-15(7-14)5-6-34(20)12-21(35)16-8-17(25(27,28)29)10-18(26)9-16/h3-4,7-11H,5-6,12H2,1-2H3,(H2,30,31,32)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396549
PNG
(CHEMBL2171134)
Show SMILES Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12
Show InChI InChI=1S/C23H17F2N3OS/c24-16-2-3-18(25)15(10-16)11-21(29)28-8-6-14-9-13(1-4-19(14)28)17-12-30-20-5-7-27-23(26)22(17)20/h1-5,7,9-10,12H,6,8,11H2,(H2,26,27)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50442167
PNG
(CHEMBL2441339)
Show SMILES Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1
Show InChI InChI=1S/C23H22N6O/c1-14-4-3-5-17(27-14)11-20(30)29-9-8-16-10-15(6-7-19(16)29)18-12-28(2)23-21(18)22(24)25-13-26-23/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,24,25,26)
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50442163
PNG
(CHEMBL2441346)
Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26)
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50071957
PNG
(CHEMBL3407850)
Show SMILES CNc1ncc2ccc(Oc3cc(ccc3N)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
Show InChI InChI=1S/C32H26N6O3/c1-34-32-35-19-22-13-15-24(18-26(22)36-32)41-27-17-21(14-16-25(27)33)30(39)28-29(20-9-5-3-6-10-20)37(2)38(31(28)40)23-11-7-4-8-12-23/h3-19H,33H2,1-2H3,(H,34,35,36)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072070
PNG
(CHEMBL3407504)
Show SMILES CNc1ncc2ccc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
Show InChI InChI=1S/C33H28N6O3/c1-20-14-17-25(28(34)31(20)42-24-16-15-22-19-36-33(35-2)37-26(22)18-24)30(40)27-29(21-10-6-4-7-11-21)38(3)39(32(27)41)23-12-8-5-9-13-23/h4-19H,34H2,1-3H3,(H,35,36,37)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396528
PNG
(CHEMBL2171128)
Show SMILES Nc1ncc(-c2cccnc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12
Show InChI InChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)21-7-4-11-30-15-21)19-8-9-24-20(14-19)10-12-32(24)25(33)13-18-5-2-1-3-6-18/h1-9,11,14-17H,10,12-13H2,(H2,29,31)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043285
PNG
(CHEMBL3355041)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cn3c(C)cc4ccc(F)cc34)c2cc1OC
Show InChI InChI=1S/C29H26FN5O3/c1-17-10-18-4-5-20(30)12-25(18)35(17)15-28(36)34-9-8-19-11-21(6-7-24(19)34)33-29-22-13-26(37-2)27(38-3)14-23(22)31-16-32-29/h4-7,10-14,16H,8-9,15H2,1-3H3,(H,31,32,33)
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n/an/a 3.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072030
PNG
(CHEMBL3407856)
Show SMILES Cc1nc2ccc(cc2s1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
Show InChI InChI=1S/C32H26N4O2S/c1-19-14-16-24(29(33)27(19)22-15-17-25-26(18-22)39-20(2)34-25)31(37)28-30(21-10-6-4-7-11-21)35(3)36(32(28)38)23-12-8-5-9-13-23/h4-18H,33H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072073
PNG
(CHEMBL3407848)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C33H27N5O5/c1-37-31(21-10-6-4-7-11-21)30(33(40)38(37)22-12-8-5-9-13-22)32(39)36-29-15-14-23(20-35-29)43-26-16-17-34-25-19-28(42-3)27(41-2)18-24(25)26/h4-20H,1-3H3,(H,35,36,39)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072027
PNG
(CHEMBL3407852)
Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50336285
PNG
(6-(2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)...)
Show SMILES Oc1cccc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12
Show InChI InChI=1S/C21H14N4O2/c26-17-4-1-3-13-11-14(5-6-15(13)17)25-19-16-7-10-22-12-18(16)27-20(19)21-23-8-2-9-24-21/h1-12,25-26H
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n/an/a 4.10n/an/an/an/an/an/a



Array BioPharma, 3200 Walnut Street, Boulder, CO 80301, USA.

Curated by ChEMBL


Assay Description
Inhibition of pERK


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50043219
PNG
(CHEMBL3355043)
Show SMILES COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c[nH]c4ccccc34)c2cc1OC
Show InChI InChI=1S/C28H25N5O3/c1-35-25-13-21-23(14-26(25)36-2)30-16-31-28(21)32-19-7-8-24-17(11-19)9-10-33(24)27(34)12-18-15-29-22-6-4-3-5-20(18)22/h3-8,11,13-16,29H,9-10,12H2,1-2H3,(H,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072026
PNG
(CHEMBL3407851)
Show SMILES CNc1ncc2ccc(Oc3cc(ccc3Cl)C(=O)c3c(-c4ccccc4)n(C)n(-c4ccccc4)c3=O)cc2n1
Show InChI InChI=1S/C32H24ClN5O3/c1-34-32-35-19-22-13-15-24(18-26(22)36-32)41-27-17-21(14-16-25(27)33)30(39)28-29(20-9-5-3-6-10-20)37(2)38(31(28)40)23-11-7-4-8-12-23/h3-19H,1-2H3,(H,34,35,36)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072029
PNG
(CHEMBL3407854)
Show SMILES Cc1ncc2ccc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
Show InChI InChI=1S/C33H27N5O3/c1-20-14-17-26(29(34)32(20)41-25-16-15-23-19-35-21(2)36-27(23)18-25)31(39)28-30(22-10-6-4-7-11-22)37(3)38(33(28)40)24-12-8-5-9-13-24/h4-19H,34H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50396545
PNG
(CHEMBL2171138)
Show SMILES Cn1nc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12
Show InChI InChI=1S/C22H18F2N6O/c1-29-22-19(21(25)26-11-27-22)20(28-29)13-2-5-17-12(8-13)6-7-30(17)18(31)10-14-9-15(23)3-4-16(14)24/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,26,27)
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n/an/a 5.40n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072036
PNG
(CHEMBL3407862)
Show SMILES Cc1ccc2cc(ccc2n1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
Show InChI InChI=1S/C34H28N4O2/c1-21-14-18-27(31(35)29(21)25-17-19-28-24(20-25)16-15-22(2)36-28)33(39)30-32(23-10-6-4-7-11-23)37(3)38(34(30)40)26-12-8-5-9-13-26/h4-20H,35H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072033
PNG
(CHEMBL3407859)
Show SMILES Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(CF)sc2c1
Show InChI InChI=1S/C32H25FN4O2S/c1-19-13-15-23(29(34)27(19)21-14-16-24-25(17-21)40-26(18-33)35-24)31(38)28-30(20-9-5-3-6-10-20)36(2)37(32(28)39)22-11-7-4-8-12-22/h3-17H,18,34H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072028
PNG
(CHEMBL3407853)
Show SMILES CNc1ncc2c(Cl)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
Show InChI InChI=1S/C33H27ClN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...


Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens)
BDBM50072075
PNG
(CHEMBL3407846)
Show SMILES Cn1cc(-c2ccc3N(CC(=O)c4cc(F)cc(c4)C(F)(F)F)CCc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H19F4N5O/c1-32-10-18(21-22(29)30-12-31-23(21)32)13-2-3-19-14(6-13)4-5-33(19)11-20(34)15-7-16(24(26,27)28)9-17(25)8-15/h2-3,6-10,12H,4-5,11H2,1H3,(H2,29,30,31)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of doxycycline-inducible T-REx-PERK-FLAG (unknown origin) autophosphorylation tranfected in human HT1080 cells after 1 hr by sandwich ELIS...


Citation and Details
More data for this
Ligand-Target Pair
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