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PubChem AID 1528

Compile data set for download or QSAR
Found 118 hits of Enzyme Inhibition Constant Data   
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))
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


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46465
PNG
(2-[(5-carbethoxy-4-methyl-thiazol-2-yl)carbamoyl]b...)
Show SMILES CCOC(=O)c1sc(NC(=O)C2C3CC(C=C3)C2C(O)=O)nc1C
Show InChI InChI=1S/C16H18N2O5S/c1-3-23-15(22)12-7(2)17-16(24-12)18-13(19)10-8-4-5-9(6-8)11(10)14(20)21/h4-5,8-11H,3,6H2,1-2H3,(H,20,21)(H,17,18,19)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46502
PNG
(5-amino-3-methyl-1,2-thiazole-4-carboxylic acid | ...)
Show SMILES Cc1nsc(N)c1C(O)=O
Show InChI InChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46505
PNG
(4-chloranyl-N-(3-cyanothiophen-2-yl)-3-nitro-benza...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1sccc1C#N
Show InChI InChI=1S/C12H6ClN3O3S/c13-9-2-1-7(5-10(9)16(18)19)11(17)15-12-8(6-14)3-4-20-12/h1-5H,(H,15,17)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46506
PNG
(2-[[[5-[2-[(2-carboxyphenyl)methylidene]hydrazinyl...)
Show SMILES OC(=O)c1ccccc1C=NNC(=O)CCCC(=O)NN=Cc1ccccc1C(O)=O
Show InChI InChI=1S/C21H20N4O6/c26-18(24-22-12-14-6-1-3-8-16(14)20(28)29)10-5-11-19(27)25-23-13-15-7-2-4-9-17(15)21(30)31/h1-4,6-9,12-13H,5,10-11H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM35931
PNG
(2,2-diphenylethyl(dimethyl)amine;hydrochloride | d...)
Show SMILES CN(C)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H19N/c1-17(2)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46521
PNG
(3-(2-furanyl)-4-[(3-methylphenyl)methylideneamino]...)
Show SMILES Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccco2)c1
Show InChI InChI=1S/C14H12N4OS/c1-10-4-2-5-11(8-10)9-15-18-13(16-17-14(18)20)12-6-3-7-19-12/h2-9H,1H3,(H,17,20)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46522
PNG
(2-[(Furan-2-ylmethyl)-amino]-succinic acid 1-(2-me...)
Show SMILES COCCOC(=O)C(CC(O)=O)NCc1ccco1
Show InChI InChI=1S/C12H17NO6/c1-17-5-6-19-12(16)10(7-11(14)15)13-8-9-3-2-4-18-9/h2-4,10,13H,5-8H2,1H3,(H,14,15)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46529
PNG
((5Z)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(...)
Show SMILES CCSc1nnc(NC(=O)c2cc(n[nH]2)-c2ccccc2O)s1
Show InChI InChI=1S/C14H13N5O2S2/c1-2-22-14-19-18-13(23-14)15-12(21)10-7-9(16-17-10)8-5-3-4-6-11(8)20/h3-7,20H,2H2,1H3,(H,16,17)(H,15,18,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46531
PNG
(3-(2-methyl-4-nitro-1-imidazolyl)propanenitrile | ...)
Show SMILES Cc1nc(cn1CCC#N)[N+]([O-])=O
Show InChI InChI=1S/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46546
PNG
(MLS000860629 | N-(4-{[(3,5-dimethylanilino)carbony...)
Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C17H19N3O2/c1-11-8-12(2)10-16(9-11)20-17(22)19-15-6-4-14(5-7-15)18-13(3)21/h4-10H,1-3H3,(H,18,21)(H2,19,20,22)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46510
PNG
((3aS,6aS)-3a-methyl-5,5-bis(oxidanylidene)-3-pheny...)
Show SMILES C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1ccccc1
Show InChI InChI=1S/C12H13NO2S3/c1-12-8-18(14,15)7-10(12)17-11(16)13(12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,12+/m1/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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46515
PNG
(MLS000776851 | N-[1-(2,4-Dihydroxy-phenyl)-meth-(E...)
Show SMILES Oc1ccc(C=NNC(=O)CNC(=O)CCc2ccccc2)c(O)c1
Show InChI InChI=1S/C18H19N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,22-23H,6,9,12H2,(H,19,24)(H,21,25)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46517
PNG
(2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-...)
Show SMILES COC(=O)C(NC(C)=O)(Nc1ccc(C)cn1)C(F)(F)F
Show InChI InChI=1S/C12H14F3N3O3/c1-7-4-5-9(16-6-7)18-11(10(20)21-3,12(13,14)15)17-8(2)19/h4-6H,1-3H3,(H,16,18)(H,17,19)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46532
PNG
(MLS000834752 | N'-(2-fluorophenyl)benzohydrazi...)
Show SMILES Fc1ccccc1NNC(=O)c1ccccc1
Show InChI InChI=1S/C13H11FN2O/c14-11-8-4-5-9-12(11)15-16-13(17)10-6-2-1-3-7-10/h1-9,15H,(H,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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46541
PNG
(5-(5-bromo-2-furanyl)-3-methyl-4-isoxazolecarboxyl...)
Show SMILES CCOC(=O)c1c(C)noc1-c1ccc(Br)o1
Show InChI InChI=1S/C11H10BrNO4/c1-3-15-11(14)9-6(2)13-17-10(9)7-4-5-8(12)16-7/h4-5H,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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46544
PNG
(4-[[2-methyl-4-phenyl-5-(trifluoromethyl)-3-pyrazo...)
Show SMILES Cn1nc(c(c1NC(=O)CCC(O)=O)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N3O3/c1-21-14(19-10(22)7-8-11(23)24)12(9-5-3-2-4-6-9)13(20-21)15(16,17)18/h2-6H,7-8H2,1H3,(H,19,22)(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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46549
PNG
(Glycine, 4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1...)
Show SMILES Cl.CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C22H19N3O5.ClH/c1-2-22(30-18(26)9-23)15-8-17-19-13(7-12-5-3-4-6-16(12)24-19)10-25(17)20(27)14(15)11-29-21(22)28;/h3-8H,2,9-11,23H2,1H3;1H
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46466
PNG
(4-[2-(4-carbomethoxyphenoxy)ethoxy]benzoic acid me...)
Show SMILES COC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C18H18O6/c1-21-17(19)13-3-7-15(8-4-13)23-11-12-24-16-9-5-14(6-10-16)18(20)22-2/h3-10H,11-12H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46468
PNG
(3-[allyl(phenyl)sulfamoyl]benzoic acid | 3-[phenyl...)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1ccccc1
Show InChI InChI=1S/C16H15NO4S/c1-2-11-17(14-8-4-3-5-9-14)22(20,21)15-10-6-7-13(12-15)16(18)19/h2-10,12H,1,11H2,(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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46504
PNG
(2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-...)
Show SMILES COc1ccc2nc(NC(=O)CSc3nnc(C)n3N)sc2c1
Show InChI InChI=1S/C13H14N6O2S2/c1-7-17-18-13(19(7)14)22-6-11(20)16-12-15-9-4-3-8(21-2)5-10(9)23-12/h3-5H,6,14H2,1-2H3,(H,15,16,20)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46533
PNG
(3-[(4-acetylphenyl)hydrazinylidene]-2-piperidinone...)
Show SMILES CC(=O)c1ccc(NN=C2CCCNC2=O)cc1
Show InChI InChI=1S/C13H15N3O2/c1-9(17)10-4-6-11(7-5-10)15-16-12-3-2-8-14-13(12)18/h4-7,15H,2-3,8H2,1H3,(H,14,18)
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46537
PNG
((E)-4-[(4-methyl-3-thiophenyl)amino]-4-oxo-2-buten...)
Show SMILES Cc1cscc1NC(=O)\C=C\C(O)=O
Show InChI InChI=1S/C9H9NO3S/c1-6-4-14-5-7(6)10-8(11)2-3-9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/b3-2+
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46503
PNG
(3-hydroxy-8-methoxy-6-benzo[c][1]benzopyranone | 3...)
Show SMILES COc1ccc2c3ccc(O)cc3oc(=O)c2c1
Show InChI InChI=1S/C14H10O4/c1-17-9-3-5-10-11-4-2-8(15)6-13(11)18-14(16)12(10)7-9/h2-7,15H,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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46518
PNG
(1-(2-Fluoro-benzoyl)-3-(2-oxo-2H-chromen-6-yl)-thi...)
Show SMILES Fc1ccccc1C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C17H11FN2O3S/c18-13-4-2-1-3-12(13)16(22)20-17(24)19-11-6-7-14-10(9-11)5-8-15(21)23-14/h1-9H,(H2,19,20,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46534
PNG
(2-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propa...)
Show SMILES CC(C)C(=O)NNc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C10H12F3N3O/c1-6(2)9(17)16-15-8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3,(H,14,15)(H,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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46535
PNG
((1Z)-1-(4-bromanylpyrazol-3-ylidene)-N-[(2-methylp...)
Show SMILES Cc1ccccc1CON=Cc1[nH]ncc1Br
Show InChI InChI=1S/C12H12BrN3O/c1-9-4-2-3-5-10(9)8-17-15-7-12-11(13)6-14-16-12/h2-7H,8H2,1H3,(H,14,16)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46545
PNG
(4-fluoranyl-N-(7-methyl-4-oxidanylidene-thieno[3,2...)
Show SMILES Cc1csc2c1nc(NC(=O)c1ccc(F)cc1)sc2=O
Show InChI InChI=1S/C14H9FN2O2S2/c1-7-6-20-11-10(7)16-14(21-13(11)19)17-12(18)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,16,17,18)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46548
PNG
(2,6-bis(2-hydroxyethylamino)-3-nitro-benzenecarbon...)
Show SMILES OCCNc1ccc(c(NCCO)c1C#N)[N+]([O-])=O
Show InChI InChI=1S/C11H14N4O4/c12-7-8-9(13-3-5-16)1-2-10(15(18)19)11(8)14-4-6-17/h1-2,13-14,16-17H,3-6H2
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46470
PNG
(2-(3-nitro-1,2,4-triazol-1-yl)-N'-[(E)-(6-oxidanyl...)
Show SMILES [O-][N+](=O)c1ncn(CC(=O)N\[NH+]=C\[c-]2ccccc2=O)n1
Show InChI InChI=1S/C11H9N6O4/c18-9-4-2-1-3-8(9)5-13-14-10(19)6-16-7-12-11(15-16)17(20)21/h1-5,7H,6H2,(H,14,19)/q-1/p+1/b13-5+
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46472
PNG
(5-(3,5-dichlorophenyl)-1-isopropyl-1H-1,2,3,4-tetr...)
Show SMILES CC(C)n1nnnc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C10H10Cl2N4/c1-6(2)16-10(13-14-15-16)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3
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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46509
PNG
(2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]aceton...)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC#N)CC1
Show InChI InChI=1S/C14H17N3O3S/c1-12(18)13-2-4-14(5-3-13)21(19,20)17-10-8-16(7-6-15)9-11-17/h2-5H,7-11H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46512
PNG
((3-Butyl-8-methoxy-2-methyl-quinolin-4-ylsulfanyl)...)
Show SMILES CCCCc1c(C)nc2c(OC)cccc2c1SCC(O)=O
Show InChI InChI=1S/C17H21NO3S/c1-4-5-7-12-11(2)18-16-13(8-6-9-14(16)21-3)17(12)22-10-15(19)20/h6,8-9H,4-5,7,10H2,1-3H3,(H,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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46516
PNG
(2-[1-(4-methylphenyl)ethylidenehydrazinylidene]-3-...)
Show SMILES CC(=NN=C1SCC(=O)N1c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C18H17N3OS/c1-13-8-10-15(11-9-13)14(2)19-20-18-21(17(22)12-23-18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46520
PNG
(2-[4-[(cyclopropanecarbonylamino)thiocarbamoylamin...)
Show SMILES COC(=O)Cc1ccc(NC(=S)NNC(=O)C2CC2)cc1
Show InChI InChI=1S/C14H17N3O3S/c1-20-12(18)8-9-2-6-11(7-3-9)15-14(21)17-16-13(19)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,16,19)(H2,15,17,21)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46527
PNG
(2-[2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triaz...)
Show SMILES CCc1ccc(cc1)-n1c(SCC(=O)N2Cc3ccccc3CC2C(O)=O)nnc1-c1ccncc1
Show InChI InChI=1S/C27H25N5O3S/c1-2-18-7-9-22(10-8-18)32-25(19-11-13-28-14-12-19)29-30-27(32)36-17-24(33)31-16-21-6-4-3-5-20(21)15-23(31)26(34)35/h3-14,23H,2,15-17H2,1H3,(H,34,35)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46528
PNG
(4-amino-N'-[(4-nitrobenzylidene)amino]furazan-3-ca...)
Show SMILES NC(=N[N-][CH+]c1ccc(cc1)[N+]([O-])=O)c1nonc1N
Show InChI InChI=1S/C10H9N7O3/c11-9(8-10(12)16-20-15-8)14-13-5-6-1-3-7(4-2-6)17(18)19/h1-5H,(H2,11,14)(H2,12,16)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46530
PNG
(3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-2H-1,2,...)
Show SMILES O=c1cnnc(N=NCc2cccs2)[nH]1
Show InChI InChI=1S/C8H7N5OS/c14-7-5-10-13-8(11-7)12-9-4-6-2-1-3-15-6/h1-3,5H,4H2,(H,11,13,14)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46538
PNG
(1-(2-methyl-3-pyrazolyl)-3-[4-(trifluoromethoxy)ph...)
Show SMILES Cn1nccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C12H11F3N4O2/c1-19-10(6-7-16-19)18-11(20)17-8-2-4-9(5-3-8)21-12(13,14)15/h2-7H,1H3,(H2,17,18,20)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46539
PNG
(3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-o...)
Show SMILES Cn1[nH]c(cc1=O)C(C)(C)C
Show InChI InChI=1S/C8H14N2O/c1-8(2,3)6-5-7(11)10(4)9-6/h5,9H,1-4H3
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46542
PNG
(1-[1-methyl-3-(trifluoromethyl)-4-pyrazolyl]-3-[4-...)
Show SMILES Cn1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(n1)C(F)(F)F
Show InChI InChI=1S/C13H10F6N4O/c1-23-6-9(10(22-23)13(17,18)19)21-11(24)20-8-4-2-7(3-5-8)12(14,15)16/h2-6H,1H3,(H2,20,21,24)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46523
PNG
(2-amino-9-propyl-3H-purine-6-thione | 2-azanyl-9-p...)
Show SMILES CCCn1cnc2c1nc(N)[nH]c2=S
Show InChI InChI=1S/C8H11N5S/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46526
PNG
(2-chloranyl-N-(4-methylpyridin-2-yl)-5-(trifluorom...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C13H10ClF3N2O2S/c1-8-4-5-18-12(6-8)19-22(20,21)11-7-9(13(15,16)17)2-3-10(11)14/h2-7H,1H3,(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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46543
PNG
(3-(2-{[4-(tert-butyl)benzoyl]oxy}phenyl)propanoic ...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Oc1ccccc1CCC(O)=O
Show InChI InChI=1S/C20H22O4/c1-20(2,3)16-11-8-15(9-12-16)19(23)24-17-7-5-4-6-14(17)10-13-18(21)22/h4-9,11-12H,10,13H2,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46469
PNG
(2,4-bis(trifluoromethyl)-7-[3-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1cccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C17H7F9N2O/c18-15(19,20)8-2-1-3-9(6-8)29-13-5-4-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46471
PNG
(Benzoic acid pyridin-4-ylmethylene-hydrazide | MLS...)
Show SMILES O=C(NN=Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C13H11N3O/c17-13(12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11/h1-10H,(H,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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46507
PNG
(4-(4-nitrophenyl)-4,6,7,8,9,10-hexahydro-3H-[1,2,4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1NS(=O)(=O)[N-]C2=[N+]1CCCCC2
Show InChI InChI=1S/C13H16N4O4S/c18-17(19)11-7-5-10(6-8-11)13-15-22(20,21)14-12-4-2-1-3-9-16(12)13/h5-8,13,15H,1-4,9H2
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46511
PNG
((1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyph...)
Show SMILES COc1ccc(cc1)\N=N\c1n(C)c2ccccc2[n+]1C
Show InChI InChI=1S/C16H17N4O/c1-19-14-6-4-5-7-15(14)20(2)16(19)18-17-12-8-10-13(21-3)11-9-12/h4-11H,1-3H3/q+1
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46524
PNG
(19-(hydroxymethyl)-6,18-dimethoxy-1,3,11,12,14,15,...)
Show SMILES COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1CO
Show InChI InChI=1S/C22H30N2O4/c1-27-13-3-4-14-15-5-6-24-10-12-7-20(26)22(28-2)17(11-25)16(12)9-19(24)21(15)23-18(14)8-13/h3-4,8,12,16-17,19-20,22-23,25-26H,5-7,9-11H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46525
PNG
(2-(6-sulfanylidene-3H-purin-9-yl)acetic acid | 2-(...)
Show SMILES OC(=O)Cn1cnc2c1nc[nH]c2=S
Show InChI InChI=1S/C7H6N4O2S/c12-4(13)1-11-3-10-5-6(11)8-2-9-7(5)14/h2-3H,1H2,(H,12,13)(H,8,9,14)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46536
PNG
(1-(4-fluorophenyl)-3-(3-methyl-5-cinnolinyl)urea |...)
Show SMILES Cc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1
Show InChI InChI=1S/C16H13FN4O/c1-10-9-13-14(3-2-4-15(13)21-20-10)19-16(22)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H2,18,19,22)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46540
PNG
(2-(1,2,4-oxadiazol-3-yl)-N-(2,3,4-trifluorophenyl)...)
Show SMILES Fc1ccc(NC(=O)Cc2ncon2)c(F)c1F
Show InChI InChI=1S/C10H6F3N3O2/c11-5-1-2-6(10(13)9(5)12)15-8(17)3-7-14-4-18-16-7/h1-2,4H,3H2,(H,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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46550
PNG
(DX-52-1 | MLS000766289 | SMR000528873 | cid_122737)
Show SMILES COc1cccc2CC3C4C(CC(C(C#N)N3C(CO)c12)N4C)C(O)=O
Show InChI InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
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

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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46467
PNG
(2-methyl-N-[1-methyl-2-[2-(4-methyl-1-piperazinyl)...)
Show SMILES CC(C)C(=O)Nc1ccc2n(C)c(CCN3CCN(C)CC3)nc2c1
Show InChI InChI=1S/C19H29N5O/c1-14(2)19(25)20-15-5-6-17-16(13-15)21-18(23(17)4)7-8-24-11-9-22(3)10-12-24/h5-6,13-14H,7-12H2,1-4H3,(H,20,25)
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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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46508
PNG
(3-[(3-amino-1-isoindolylidene)amino]benzenesulfona...)
Show SMILES NC1=N\C(=N/c2cccc(c2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2S/c15-13-11-6-1-2-7-12(11)14(18-13)17-9-4-3-5-10(8-9)21(16,19)20/h1-8H,(H2,15,17,18)(H2,16,19,20)
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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46513
PNG
(MLS000777856 | N-[1-(4-phenyl-5-sulfanylidene-1H-1...)
Show SMILES CC(NS(=O)(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1
Show InChI InChI=1S/C16H16N4O2S2/c1-12(19-24(21,22)14-10-6-3-7-11-14)15-17-18-16(23)20(15)13-8-4-2-5-9-13/h2-12,19H,1H3,(H,18,23)
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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46514
PNG
(4-[(5E)-4-keto-5-[4-keto-3-(4-keto-4-propoxy-butyl...)
Show SMILES CCCOC(=O)CCCN1C(=S)S\C(C1=O)=C1\SC(=S)N(CCCC(=O)OCCC)C1=O
Show InChI InChI=1S/C20H26N2O6S4/c1-3-11-27-13(23)7-5-9-21-17(25)15(31-19(21)29)16-18(26)22(20(30)32-16)10-6-8-14(24)28-12-4-2/h3-12H2,1-2H3/b16-15+
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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46547
PNG
(2-hydroxy-3-methyl-4H-benzo[d]pyrimido[2,1-b][1,3]...)
Show SMILES Cc1c(O)n2c(nc1=O)sc1ccccc21
Show InChI InChI=1S/C11H8N2O2S/c1-6-9(14)12-11-13(10(6)15)7-4-2-3-5-8(7)16-11/h2-5,15H,1H3
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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46551
PNG
((1-tert-butyl-2-azetidinyl)methanamine | (1-tert-b...)
Show SMILES CC(C)(C)N1CCC1CN
Show InChI InChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(10)6-9/h7H,4-6,9H2,1-3H3
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n/an/an/an/a>5.57E+4n/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%