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Compile Data Set for Download or QSAR

Found 484 hits Enz. Inhib. hit(s) with Target = 'Pancreatic endoplasmic reticulum kinase (PERK)'   
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))
BDBM227455
PNG
(US9333205, 30)
Show SMILES COc1cc(ccc1Nc1ncc2CC(C)(C)c3c(noc3C(N)=O)-c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O4/c1-26(2)12-15-13-28-25(31-20(15)21-19(26)22(23(27)34)37-32-21)30-17-6-5-14(11-18(17)36-4)24(35)29-16-7-9-33(3)10-8-16/h5-6,11,13,16H,7-10,12H2,1-4H3,(H2,27,34)(H,29,35)(H,28,30,31)
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n/an/a 400n/an/an/an/a7.525



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9333205 (2016)


BindingDB Entry DOI: 10.7270/Q22F7M9V
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM227457
PNG
(US9333205, 61)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(=O)N[C@@H](CN)c3ccccc3)c1CC2(C)C)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C34H40N8O4/c1-34(2)17-23-28(32(44)38-26(18-35)20-8-6-5-7-9-20)41-46-30(23)29-24(34)19-36-33(40-29)39-25-11-10-21(16-27(25)45-4)31(43)37-22-12-14-42(3)15-13-22/h5-11,16,19,22,26H,12-15,17-18,35H2,1-4H3,(H,37,43)(H,38,44)(H,36,39,40)/t26-/m0/s1
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n/an/a 240n/an/an/an/a7.525



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9333205 (2016)


BindingDB Entry DOI: 10.7270/Q22F7M9V
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM227456
PNG
(US9333205, 55)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)-c1onc(C(N)=O)c1CC2(C)C)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O4/c1-26(2)12-16-20(23(27)34)32-37-22(16)21-17(26)13-28-25(31-21)30-18-6-5-14(11-19(18)36-4)24(35)29-15-7-9-33(3)10-8-15/h5-6,11,13,15H,7-10,12H2,1-4H3,(H2,27,34)(H,29,35)(H,28,30,31)
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n/an/a 510n/an/an/an/a7.525



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9333205 (2016)


BindingDB Entry DOI: 10.7270/Q22F7M9V
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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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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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/Q2XG9PJP
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

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/Q2XG9PJP
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/Q2XG9PJP
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

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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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

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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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

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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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/Q2XG9PJP
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

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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/Q2XG9PJP
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

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/Q2XG9PJP
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

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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/Q2XG9PJP
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

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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/Q2XG9PJP
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


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

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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/Q2XG9PJP
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

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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/Q2XG9PJP
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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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n/an/an/an/a 2.32E+4n/an/an/an/a



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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
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/Q2XG9PJP
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

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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/Q2XG9PJP
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

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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/Q2XG9PJP
More data for this
Ligand-Target Pair
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