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Compile Data Set for Download or QSAR

Found 255 hits of ec50 data for polymerid = 9736   
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
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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n/an/an/an/a 52n/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))
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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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))
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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n/an/an/an/a 190n/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))
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/an/an/a 200n/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))
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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n/an/an/an/a 200n/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))
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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n/an/an/an/a 280n/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))
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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n/an/an/an/a 290n/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))
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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n/an/an/an/a 400n/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))
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

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


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


(Homo sapiens (Human))
BDBM46439
PNG
((4-Hydroxy-3-methoxy-phenyl)-morpholin-4-yl-aceton...)
Show SMILES COc1cc(ccc1O)C(C#N)N1CCOCC1
Show InChI InChI=1S/C13H16N2O3/c1-17-13-8-10(2-3-12(13)16)11(9-14)15-4-6-18-7-5-15/h2-3,8,11,16H,4-7H2,1H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46440
PNG
(5-(2-Dimethylamino-ethylamino)-6-methyl-2H-[1,2,4]...)
Show SMILES CN(C)CCNc1[nH]c(=O)nnc1C
Show InChI InChI=1S/C8H15N5O/c1-6-7(9-4-5-13(2)3)10-8(14)12-11-6/h4-5H2,1-3H3,(H2,9,10,12,14)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM50008369
PNG
((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


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


(Homo sapiens (Human))
BDBM46441
PNG
(1-(6-amino-1,3-benzodioxol-5-yl)ethanone | 1-(6-az...)
Show SMILES CC(=O)c1cc2OCOc2cc1N
Show InChI InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46442
PNG
(2,4,7,8-tetramethyl-1,2,3,4-tetrahydroquinoline;hy...)
Show SMILES CC1CC(C)c2ccc(C)c(C)c2N1
Show InChI InChI=1S/C13H19N/c1-8-5-6-12-9(2)7-10(3)14-13(12)11(8)4/h5-6,9-10,14H,7H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46443
PNG
(MLS000040436 | SMR000045341 | cid_5389826)
Show SMILES CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
Show InChI InChI=1S/C17H25NO5/c1-3-4-10-22-16(20)13-12-6-7-17(23-12)11-18(8-5-9-21-2)15(19)14(13)17/h6-7,12-14H,3-5,8-11H2,1-2H3/t12-,13?,14+,17-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46444
PNG
((2-oxidanylidenecyclohexyl) 2-[(4-methoxyphenyl)ca...)
Show SMILES COc1ccc(cc1)C(=O)NCC(=O)OC1CCCCC1=O
Show InChI InChI=1S/C16H19NO5/c1-21-12-8-6-11(7-9-12)16(20)17-10-15(19)22-14-5-3-2-4-13(14)18/h6-9,14H,2-5,10H2,1H3,(H,17,20)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46445
PNG
(MLS000044433 | N-(tert-butyl)-2,1,3-benzothiadiazo...)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C10H13N3O2S2/c1-10(2,3)13-17(14,15)8-6-4-5-7-9(8)12-16-11-7/h4-6,13H,1-3H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46446
PNG
(1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-c...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)15(19)17-11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46447
PNG
(5-({[3-(trifluoromethyl)phenyl]sulfinyl}methyl)-2-...)
Show SMILES OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C13H9F3O4S/c14-13(15,16)8-2-1-3-10(6-8)21(19)7-9-4-5-11(20-9)12(17)18/h1-6H,7H2,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM50246167
PNG
(8-Methyl-3,4-cyclohexene-7-hydroxycoumarin | CHEMB...)
Show SMILES Cc1c(O)ccc2c3CCCCc3c(=O)oc12
Show InChI InChI=1S/C14H14O3/c1-8-12(15)7-6-10-9-4-2-3-5-11(9)14(16)17-13(8)10/h6-7,15H,2-5H2,1H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46448
PNG
(2-[(4-methylphenyl)amino]-2-oxoethyl 3-(2-oxo-2,3-...)
Show SMILES Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H17N3O4/c1-10-2-4-11(5-3-10)17-13(19)9-22-14(20)7-6-12-8-16-15(21)18-12/h2-5,8H,6-7,9H2,1H3,(H,17,19)(H2,16,18,21)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46449
PNG
(5-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-1,2-oxa...)
Show SMILES CC(C)Cc1cc(no1)C(=O)NCc1cccs1
Show InChI InChI=1S/C13H16N2O2S/c1-9(2)6-10-7-12(15-17-10)13(16)14-8-11-4-3-5-18-11/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46450
PNG
(4-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methylamino...)
Show SMILES Cc1csc2nc(CNC(=O)CCC(O)=O)cn12
Show InChI InChI=1S/C11H13N3O3S/c1-7-6-18-11-13-8(5-14(7)11)4-12-9(15)2-3-10(16)17/h5-6H,2-4H2,1H3,(H,12,15)(H,16,17)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46451
PNG
(MLS000103017 | N-(2-fluorophenyl)-2-(3-methyl-2-me...)
Show SMILES C\N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1C
Show InChI InChI=1S/C13H14FN3O2S/c1-15-13-17(2)12(19)10(20-13)7-11(18)16-9-6-4-3-5-8(9)14/h3-6,10H,7H2,1-2H3,(H,16,18)/b15-13+
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46452
PNG
(5-(benzylthio)-7-(2-furyl)-1,3-dimethyl-pyrimido[4...)
Show SMILES Cn1c2nc(nc(SCc3ccccc3)c2c(=O)n(C)c1=O)-c1ccco1
Show InChI InChI=1S/C19H16N4O3S/c1-22-16-14(18(24)23(2)19(22)25)17(27-11-12-7-4-3-5-8-12)21-15(20-16)13-9-6-10-26-13/h3-10H,11H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46453
PNG
(1,3-benzodioxol-5-yl-(3,5-dimethyl-1-pyrazolyl)met...)
Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H12N2O3/c1-8-5-9(2)15(14-8)13(16)10-3-4-11-12(6-10)18-7-17-11/h3-6H,7H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46454
PNG
((4-Oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid me...)
Show SMILES COC(=O)Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C11H10N2O3/c1-16-10(14)6-9-7-4-2-3-5-8(7)11(15)13-12-9/h2-5H,6H2,1H3,(H,13,15)
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The Scripps Research Institute Molecular Screening Center

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


(Homo sapiens (Human))
BDBM41585
PNG
((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Show SMILES CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
Show InChI InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8+
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46455
PNG
(3-bromanyl-5-ethoxy-4-methoxy-benzamide | 3-bromo-...)
Show SMILES CCOc1cc(cc(Br)c1OC)C(N)=O
Show InChI InChI=1S/C10H12BrNO3/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H2,12,13)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46456
PNG
(MLS000548455 | N-[4-(4-methoxyphenyl)-1,3-thiazol-...)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)cs2)n1
Show InChI InChI=1S/C16H15N3O2S3/c1-10-7-23-16(17-10)24-9-14(20)19-15-18-13(8-22-15)11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3,(H,18,19,20)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46457
PNG
((Z)-4,4-Dimethyl-1-(3-nitro-phenyl)-2-[1,2,4]triaz...)
Show SMILES CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
Show InChI InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8-
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The Scripps Research Institute Molecular Screening Center

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Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46458
PNG
(3-amino-2-propyl-4(3H)-quinazolinone | 3-amino-2-p...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N
Show InChI InChI=1S/C11H13N3O/c1-2-5-10-13-9-7-4-3-6-8(9)11(15)14(10)12/h3-4,6-7H,2,5,12H2,1H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46459
PNG
(MLS000534872 | N-cyclopentyl-2-[(5-methyl-1,3,4-th...)
Show SMILES Cc1nnc(SCC(=O)NC2CCCC2)s1
Show InChI InChI=1S/C10H15N3OS2/c1-7-12-13-10(16-7)15-6-9(14)11-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,14)
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The Scripps Research Institute Molecular Screening Center

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


(Homo sapiens (Human))
BDBM46460
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-mesityl-amine |...)
Show SMILES Cc1cc(C)c(N=C2NS(=O)(=O)c3ccccc23)c(C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-10-8-11(2)15(12(3)9-10)17-16-13-6-4-5-7-14(13)21(19,20)18-16/h4-9H,1-3H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46461
PNG
(1-(2-methylphenyl)-3-(3-pyrrolidin-1-ylpropyl)urea...)
Show SMILES Cc1ccccc1NC(=O)NCCCN1CCCC1
Show InChI InChI=1S/C15H23N3O/c1-13-7-2-3-8-14(13)17-15(19)16-9-6-12-18-10-4-5-11-18/h2-3,7-8H,4-6,9-12H2,1H3,(H2,16,17,19)
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The Scripps Research Institute Molecular Screening Center

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


(Homo sapiens (Human))
BDBM46462
PNG
(3,12-dimethyl-6,9,17,20,25-pentaoxa-1,3,12,14-tetr...)
Show SMILES CN1CCOCCOCCN(C)C(=O)N2CCOCCOCCN(CCOCC2)C1=O
Show InChI InChI=1S/C20H38N4O7/c1-21-3-9-28-15-16-29-10-4-22(2)20(26)24-6-12-27-11-5-23(19(21)25)7-13-30-17-18-31-14-8-24/h3-18H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46463
PNG
(4-[3-[(2-methoxyethylamino)-oxomethyl]-7-oxo-1H-py...)
Show SMILES COCCNC(=O)c1c[nH]n2c1nc(cc2=O)C1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H29N5O5/c1-20(2,3)30-19(28)24-8-5-13(6-9-24)15-11-16(26)25-17(23-15)14(12-22-25)18(27)21-7-10-29-4/h11-13,22H,5-10H2,1-4H3,(H,21,27)
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The Scripps Research Institute Molecular Screening Center

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


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


(Homo sapiens (Human))
BDBM46464
PNG
(5-hydroxy-2-methyl-3-benzofurancarboxylic acid eth...)
Show SMILES CCOC(=O)c1c(C)oc2ccc(O)cc12
Show InChI InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
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