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Compile Data Set for Download or QSAR

Found 255 hits of ec50 data for polymerid = 9736   
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
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 13n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 130n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 170n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 180n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50072031
PNG
(CHEMBL3407857)
Show SMILES CNc1nc2ccc(cc2s1)-c1c(C)ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c1N
Show InChI InChI=1S/C32H27N5O2S/c1-19-14-16-23(28(33)26(19)21-15-17-24-25(18-21)40-32(34-2)35-24)30(38)27-29(20-10-6-4-7-11-20)36(3)37(31(27)39)22-12-8-5-9-13-22/h4-18H,33H2,1-3H3,(H,34,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50072032
PNG
(CHEMBL3407858)
Show SMILES Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C31H25N5O2S/c1-18-13-15-22(27(32)25(18)20-14-16-23-24(17-20)39-31(33)34-23)29(37)26-28(19-9-5-3-6-10-19)35(2)36(30(26)38)21-11-7-4-8-12-21/h3-17H,32H2,1-2H3,(H2,33,34)
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n/an/an/an/a 210n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50072034
PNG
(CHEMBL3407860)
Show SMILES Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(sc2c1)C(F)F
Show InChI InChI=1S/C32H24F2N4O2S/c1-18-13-15-22(27(35)25(18)20-14-16-23-24(17-20)41-31(36-23)30(33)34)29(39)26-28(19-9-5-3-6-10-19)37(2)38(32(26)40)21-11-7-4-8-12-21/h3-17,30H,35H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50072074
PNG
(CHEMBL3407847)
Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc(C(=O)Nc2ccc(OC)c(c2)C(F)(F)F)c1N
Show InChI InChI=1S/C25H22F3N5O2/c1-13-4-7-17(23(34)32-16-6-9-20(35-3)18(11-16)25(26,27)28)22(29)21(13)14-5-8-19-15(10-14)12-31-24(30-2)33-19/h4-12H,29H2,1-3H3,(H,32,34)(H,30,31,33)
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n/an/an/an/a 310n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 310n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 520n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
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/an/an/a 640n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50072035
PNG
(CHEMBL3407861)
Show SMILES Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(sc2c1)C(F)(F)F
Show InChI InChI=1S/C32H23F3N4O2S/c1-18-13-15-22(27(36)25(18)20-14-16-23-24(17-20)42-31(37-23)32(33,34)35)29(40)26-28(19-9-5-3-6-10-19)38(2)39(30(26)41)21-11-7-4-8-12-21/h3-17H,36H2,1-2H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50072071
PNG
(CHEMBL3407855)
Show SMILES Cc1nc2cc(ccc2s1)-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)22-15-17-26-25(18-22)34-20(2)39-26)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/an/an/a 5.60E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...


J Med Chem 58: 1426-41 (2015)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46478
PNG
(MLS000716395 | N'-(cyclopropanecarbonyl)-1-(2-naph...)
Show SMILES O=C(NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1)C1CC1
Show InChI InChI=1S/C20H23N3O4S/c24-19(15-7-8-15)21-22-20(25)17-6-3-11-23(13-17)28(26,27)18-10-9-14-4-1-2-5-16(14)12-18/h1-2,4-5,9-10,12,15,17H,3,6-8,11,13H2,(H,21,24)(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46473
PNG
(MLS000578790 | N'-1,3-benzothiazol-2-ylcyclopr...)
Show SMILES O=C(NNc1nc2ccccc2s1)C1CC1
Show InChI InChI=1S/C11H11N3OS/c15-10(7-5-6-7)13-14-11-12-8-3-1-2-4-9(8)16-11/h1-4,7H,5-6H2,(H,12,14)(H,13,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46474
PNG
((2S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]...)
Show SMILES COc1ccc(\C=C\C(=O)N[C@@H](C)C(O)=O)cc1
Show InChI InChI=1S/C13H15NO4/c1-9(13(16)17)14-12(15)8-5-10-3-6-11(18-2)7-4-10/h3-9H,1-2H3,(H,14,15)(H,16,17)/b8-5+/t9-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46475
PNG
(1H-benzimidazol-2-yl-[(2-chloro-7-methyl-3-quinoly...)
Show SMILES Cc1ccc2cc(CN=Nc3nc4ccccc4[nH]3)c(Cl)nc2c1
Show InChI InChI=1S/C18H14ClN5/c1-11-6-7-12-9-13(17(19)21-16(12)8-11)10-20-24-18-22-14-4-2-3-5-15(14)23-18/h2-9H,10H2,1H3,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46476
PNG
(4-(3-ethoxy-4-hydroxy-phenyl)-N-(4-methoxyphenyl)-...)
Show SMILES CCOc1cc(ccc1O)C1NC(=S)N=C(C)C1C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C21H23N3O4S/c1-4-28-17-11-13(5-10-16(17)25)19-18(12(2)22-21(29)24-19)20(26)23-14-6-8-15(27-3)9-7-14/h5-11,18-19,25H,4H2,1-3H3,(H,23,26)(H,24,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46477
PNG
(1-(3,4-dimethoxyphenyl)-2-phenyl-ethanone | 1-(3,4...)
Show SMILES COc1ccc(cc1OC)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-8-13(11-16(15)19-2)14(17)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46478
PNG
(MLS000716395 | N'-(cyclopropanecarbonyl)-1-(2-naph...)
Show SMILES O=C(NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1)C1CC1
Show InChI InChI=1S/C20H23N3O4S/c24-19(15-7-8-15)21-22-20(25)17-6-3-11-23(13-17)28(26,27)18-10-9-14-4-1-2-5-16(14)12-18/h1-2,4-5,9-10,12,15,17H,3,6-8,11,13H2,(H,21,24)(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46477
PNG
(1-(3,4-dimethoxyphenyl)-2-phenyl-ethanone | 1-(3,4...)
Show SMILES COc1ccc(cc1OC)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-8-13(11-16(15)19-2)14(17)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46479
PNG
(5-[2-(2,5-dimethylphenoxy)ethanoylamino]benzene-1,...)
Show SMILES Cc1ccc(C)c(OCC(=O)Nc2cc(cc(c2)C(O)=O)C(O)=O)c1
Show InChI InChI=1S/C18H17NO6/c1-10-3-4-11(2)15(5-10)25-9-16(20)19-14-7-12(17(21)22)6-13(8-14)18(23)24/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46480
PNG
(2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]su...)
Show SMILES OC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12
Show InChI InChI=1S/C14H9BrN2O2S2/c15-9-3-1-8(2-4-9)10-5-20-13-12(10)14(17-7-16-13)21-6-11(18)19/h1-5,7H,6H2,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46481
PNG
(2-(3-keto-6-morpholinosulfonyl-1,4-benzoxazin-4-yl...)
Show SMILES O=C(CN1C(=O)COc2ccc(cc12)S(=O)(=O)N1CCOCC1)NCc1ccccn1
Show InChI InChI=1S/C20H22N4O6S/c25-19(22-12-15-3-1-2-6-21-15)13-24-17-11-16(4-5-18(17)30-14-20(24)26)31(27,28)23-7-9-29-10-8-23/h1-6,11H,7-10,12-14H2,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46482
PNG
(1-(1,3-benzodioxol-5-yl)-3-(2-ethyl-6-methyl-pheny...)
Show SMILES CCc1cccc(C)c1NC(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C17H18N2O3/c1-3-12-6-4-5-11(2)16(12)19-17(20)18-13-7-8-14-15(9-13)22-10-21-14/h4-9H,3,10H2,1-2H3,(H2,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46483
PNG
(1-(2,4-difluorophenyl)-3-prop-2-enylurea | 1-[2,4-...)
Show SMILES Fc1ccc(NC(=O)NCC=C)c(F)c1
Show InChI InChI=1S/C10H10F2N2O/c1-2-5-13-10(15)14-9-4-3-7(11)6-8(9)12/h2-4,6H,1,5H2,(H2,13,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46484
PNG
(2-methyl-3-(2-phenylbutanoylamino)benzoic acid | 2...)
Show SMILES CCC(C(=O)Nc1cccc(C(O)=O)c1C)c1ccccc1
Show InChI InChI=1S/C18H19NO3/c1-3-14(13-8-5-4-6-9-13)17(20)19-16-11-7-10-15(12(16)2)18(21)22/h4-11,14H,3H2,1-2H3,(H,19,20)(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46485
PNG
(MLS000672380 | N-(2-fluorophenyl)-3-[5-({2-[(2-met...)
Show SMILES COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C
Show InChI InChI=1S/C21H22FN5O3S/c1-27-18(11-12-19(28)23-15-8-4-3-7-14(15)22)25-26-21(27)31-13-20(29)24-16-9-5-6-10-17(16)30-2/h3-10H,11-13H2,1-2H3,(H,23,28)(H,24,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46486
PNG
(2,2,2-trichloro-N-(mesitylcarbamoyl)acetamide | 2,...)
Show SMILES Cc1cc(C)c(NC(=O)NC(=O)C(Cl)(Cl)Cl)c(C)c1
Show InChI InChI=1S/C12H13Cl3N2O2/c1-6-4-7(2)9(8(3)5-6)16-11(19)17-10(18)12(13,14)15/h4-5H,1-3H3,(H2,16,17,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46487
PNG
(5-(2,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde |...)
Show SMILES Clc1ccc(-c2ccc(C=O)[nH]2)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2NO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-15)14-11/h1-6,14H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46488
PNG
(1-(2-methylpropyl)-2-benzimidazolesulfonic acid | ...)
Show SMILES CC(C)Cn1c(nc2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-8(2)7-13-10-6-4-3-5-9(10)12-11(13)17(14,15)16/h3-6,8H,7H2,1-2H3,(H,14,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46489
PNG
(4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)benzo...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2S/c23-20(24)15-10-8-14(9-11-15)19-21-17(13-5-2-1-3-6-13)18(22-19)16-7-4-12-25-16/h1-12H,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46490
PNG
(3-(2,4-dimethoxyanilino)-6-methyl-2H-1,2,4-triazin...)
Show SMILES COc1ccc(Nc2nnc(C)c(=O)[nH]2)c(OC)c1
Show InChI InChI=1S/C12H14N4O3/c1-7-11(17)14-12(16-15-7)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46491
PNG
((E)-3-(3-nitrophenyl)-N,N-di(propan-2-yl)-2-propen...)
Show SMILES CC(C)N(C(C)C)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H20N2O3/c1-11(2)16(12(3)4)15(18)9-8-13-6-5-7-14(10-13)17(19)20/h5-12H,1-4H3/b9-8+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46492
PNG
(4-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyri...)
Show SMILES CN1CCN(CCNC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1
Show InChI InChI=1S/C25H34N6O2/c1-19-22-18-27-31(21-8-5-4-6-9-21)25(33)24(22)20(2)30(19)12-7-10-23(32)26-11-13-29-16-14-28(3)15-17-29/h4-6,8-9,18H,7,10-17H2,1-3H3,(H,26,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46493
PNG
(2-(3-chlorophenyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2...)
Show SMILES Clc1cccc(c1)N1C(=O)c2ccncc2C1=O
Show InChI InChI=1S/C13H7ClN2O2/c14-8-2-1-3-9(6-8)16-12(17)10-4-5-15-7-11(10)13(16)18/h1-7H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46494
PNG
((6Z)-5-azanylidene-6-[[1-(2-fluorophenyl)-2,5-dime...)
Show SMILES Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C19H16FN5O3S2/c1-10-8-12(11(2)24(10)15-7-5-4-6-14(15)20)9-13-16(21)25-18(22-17(13)26)29-23-19(25)30(3,27)28/h4-9,21H,1-3H3/b13-9-,21-16?
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46495
PNG
(1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5...)
Show SMILES Cc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46496
PNG
((2Z)-2-(nitrosomethylene)-1H-quinolin-8-ol | (2Z)-...)
Show SMILES Oc1cccc2ccc(CN=O)nc12
Show InChI InChI=1S/C10H8N2O2/c13-9-3-1-2-7-4-5-8(6-11-14)12-10(7)9/h1-5,13H,6H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46497
PNG
(MLS000708141 | N-(2-furanylmethyl)-1-methyl-4-nitr...)
Show SMILES Cn1cc(c(n1)C(=O)NCc1ccco1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N4O4/c1-13-6-8(14(16)17)9(12-13)10(15)11-5-7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,11,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46498
PNG
(5-methyl-3-nitro-1H-pyridin-2-one | 5-methyl-3-nit...)
Show SMILES Cc1c[nH]c(=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O3/c1-4-2-5(8(10)11)6(9)7-3-4/h2-3H,1H3,(H,7,9)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46499
PNG
(1-[[4-[(carbamothioylhydrazinylidene)methyl]phenyl...)
Show SMILES NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C10H12N6S2/c11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46500
PNG
(MLS001018675 | N-(4-methoxy-6-nitro-1,3-benzothiaz...)
Show SMILES COc1cc(cc2sc(NC(=O)C(C)(C)C)nc12)[N+]([O-])=O
Show InChI InChI=1S/C13H15N3O4S/c1-13(2,3)11(17)15-12-14-10-8(20-4)5-7(16(18)19)6-9(10)21-12/h5-6H,1-4H3,(H,14,15,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46501
PNG
(4-ethyl-7-(4-morpholinylsulfonyl)-1,3-dihydroquino...)
Show SMILES CCN1CC(=O)Nc2cc(ccc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C14H19N3O4S/c1-2-16-10-14(18)15-12-9-11(3-4-13(12)16)22(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,10H2,1H3,(H,15,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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