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Compile Data Set for Download or QSAR

Found 37 hits from Array BioPharma, 3200 Walnut Street, Boulder, CO 80301, USA.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50336285
PNG
(6-(2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)...)
Show SMILES Oc1cccc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12
Show InChI InChI=1S/C21H14N4O2/c26-17-4-1-3-13-11-14(5-6-15(13)17)25-19-16-7-10-22-12-18(16)27-20(19)21-23-8-2-9-24-21/h1-12,25-26H
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n/an/a 4.10n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336286
PNG
(6-(2-(5-((4-methylpiperazin-1-yl)methyl)pyrimidin-...)
Show SMILES CN1CCN(Cc2cnc(nc2)-c2oc3cnccc3c2Nc2ccc3c(O)cccc3c2)CC1
Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)17-18-14-29-27(30-15-18)26-25(22-7-8-28-16-24(22)35-26)31-20-5-6-21-19(13-20)3-2-4-23(21)34/h2-8,13-16,31,34H,9-12,17H2,1H3
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n/an/a 16n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336287
PNG
(5-(2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)...)
Show SMILES ONC1=NCc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12
Show InChI InChI=1S/C19H14N6O2/c26-25-18-13-3-2-12(8-11(13)9-23-18)24-16-14-4-7-20-10-15(14)27-17(16)19-21-5-1-6-22-19/h1-8,10,24,26H,9H2,(H,23,25)
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n/an/a 18n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50335963
PNG
(CHEMBL1667925 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a 30n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336288
PNG
(2-chloro-5-(2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3...)
Show SMILES Oc1cc(Nc2c(oc3cnccc23)-c2ncccn2)ccc1Cl
Show InChI InChI=1S/C17H11ClN4O2/c18-12-3-2-10(8-13(12)23)22-15-11-4-7-19-9-14(11)24-16(15)17-20-5-1-6-21-17/h1-9,22-23H
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n/an/a 31n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336289
PNG
(3-(5-hydroxynaphthalen-2-ylamino)-N-(pyrimidin-4-y...)
Show SMILES Oc1cccc2cc(Nc3c(oc4cnccc34)C(=O)Nc3ccncn3)ccc12
Show InChI InChI=1S/C22H15N5O3/c28-17-3-1-2-13-10-14(4-5-15(13)17)26-20-16-6-8-23-11-18(16)30-21(20)22(29)27-19-7-9-24-12-25-19/h1-12,26,28H,(H,24,25,27,29)
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n/an/a 37.9n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335962
PNG
(CHEMBL1668909 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1sc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O3S/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a 50n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 1248-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.039
BindingDB Entry DOI: 10.7270/Q23X86XG
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336290
PNG
(CHEMBL1667906 | ethyl 3-(5-hydroxynaphthalen-2-yla...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
Show InChI InChI=1S/C20H16N2O4/c1-2-25-20(24)19-18(15-8-9-21-11-17(15)26-19)22-13-6-7-14-12(10-13)4-3-5-16(14)23/h3-11,22-23H,2H2,1H3
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n/an/a 54n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336291
PNG
(3-(5-hydroxynaphthalen-2-ylamino)-N-isopropylfuro[...)
Show SMILES CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
Show InChI InChI=1S/C21H19N3O3/c1-12(2)23-21(26)20-19(16-8-9-22-11-18(16)27-20)24-14-6-7-15-13(10-14)4-3-5-17(15)25/h3-12,24-25H,1-2H3,(H,23,26)
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n/an/a 86.7n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336292
PNG
(CHEMBL1667909 | N-(2-(dimethylamino)vinyl)-3-(5-hy...)
Show SMILES CN(C)\C=C\NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
Show InChI InChI=1S/C22H20N4O3/c1-26(2)11-10-24-22(28)21-20(17-8-9-23-13-19(17)29-21)25-15-6-7-16-14(12-15)4-3-5-18(16)27/h3-13,25,27H,1-2H3,(H,24,28)/b11-10+
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n/an/a 102n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50335962
PNG
(CHEMBL1668909 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1sc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O3S/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a 129n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 1248-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.039
BindingDB Entry DOI: 10.7270/Q23X86XG
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336293
PNG
(CHEMBL1667923 | N-(7-chloro-3-ethyl-1H-indazol-4-y...)
Show SMILES CCc1n[nH]c2c(Cl)ccc(Nc3c(oc4cnccc34)-c3ncccn3)c12
Show InChI InChI=1S/C20H15ClN6O/c1-2-13-16-14(5-4-12(21)18(16)27-26-13)25-17-11-6-9-22-10-15(11)28-19(17)20-23-7-3-8-24-20/h3-10,25H,2H2,1H3,(H,26,27)
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n/an/a 140n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336294
PNG
(CHEMBL1667907 | ethyl 3-(6-fluoro-5-hydroxynaphtha...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)c(F)ccc2c1
Show InChI InChI=1S/C20H15FN2O4/c1-2-26-20(25)19-17(14-7-8-22-10-16(14)27-19)23-12-4-5-13-11(9-12)3-6-15(21)18(13)24/h3-10,23-24H,2H2,1H3
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n/an/a 142n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336295
PNG
(CHEMBL1667916 | N-(7-chloro-1H-indazol-4-yl)-2-(py...)
Show SMILES Clc1ccc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c12
Show InChI InChI=1S/C18H11ClN6O/c19-12-2-3-13(11-8-23-25-15(11)12)24-16-10-4-7-20-9-14(10)26-17(16)18-21-5-1-6-22-18/h1-9,24H,(H,23,25)
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n/an/a 250n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336314
PNG
(CHEMBL1667922 | N-(7-chloro-6-methyl-1H-indazol-4-...)
Show SMILES Cc1cc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c2c1Cl
Show InChI InChI=1S/C19H13ClN6O/c1-10-7-13(12-8-24-26-16(12)15(10)20)25-17-11-3-6-21-9-14(11)27-18(17)19-22-4-2-5-23-19/h2-9,25H,1H3,(H,24,26)
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n/an/a 300n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336296
PNG
(3-(7-chloro-4-(2-(pyrimidin-2-yl)furo[2,3-c]pyridi...)
Show SMILES OCCCc1n[nH]c2c(Cl)ccc(Nc3c(oc4cnccc34)-c3ncccn3)c12
Show InChI InChI=1S/C21H17ClN6O2/c22-13-4-5-14(17-15(3-1-10-29)27-28-19(13)17)26-18-12-6-9-23-11-16(12)30-20(18)21-24-7-2-8-25-21/h2,4-9,11,26,29H,1,3,10H2,(H,27,28)
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n/an/a 350n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336297
PNG
(CHEMBL1667912 | ethyl 3-(4-chloro-3-hydroxyphenyla...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C16H13ClN2O4/c1-2-22-16(21)15-14(10-5-6-18-8-13(10)23-15)19-9-3-4-11(17)12(20)7-9/h3-8,19-20H,2H2,1H3
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n/an/a 442n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336311
PNG
(3-(4-chloro-3-hydroxyphenylamino)-N-(pyrimidin-2-y...)
Show SMILES Oc1cc(Nc2c(oc3cnccc23)C(=O)Nc2ncccn2)ccc1Cl
Show InChI InChI=1S/C18H12ClN5O3/c19-12-3-2-10(8-13(12)25)23-15-11-4-7-20-9-14(11)27-16(15)17(26)24-18-21-5-1-6-22-18/h1-9,23,25H,(H,21,22,24,26)
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n/an/a 556n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50335962
PNG
(CHEMBL1668909 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1sc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O3S/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a 616n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 1248-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.039
BindingDB Entry DOI: 10.7270/Q23X86XG
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336312
PNG
(5-(2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)...)
Show SMILES O=C1CCc2cc(Nc3c(oc4cnccc34)-c3ncccn3)ccc12
Show InChI InChI=1S/C20H14N4O2/c25-16-5-2-12-10-13(3-4-14(12)16)24-18-15-6-9-21-11-17(15)26-19(18)20-22-7-1-8-23-20/h1,3-4,6-11,24H,2,5H2
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n/an/a 820n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336313
PNG
(3-(4-chloro-3-hydroxyphenylamino)-N-isopropylfuro[...)
Show SMILES CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C17H16ClN3O3/c1-9(2)20-17(23)16-15(11-5-6-19-8-14(11)24-16)21-10-3-4-12(18)13(22)7-10/h3-9,21-22H,1-2H3,(H,20,23)
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n/an/a 823n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336298
PNG
(CHEMBL1667920 | N-(7-methyl-1H-indazol-4-yl)-2-(py...)
Show SMILES Cc1ccc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c12
Show InChI InChI=1S/C19H14N6O/c1-11-3-4-14(13-9-23-25-16(11)13)24-17-12-5-8-20-10-15(12)26-18(17)19-21-6-2-7-22-19/h2-10,24H,1H3,(H,23,25)
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n/an/a 840n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336299
PNG
(CHEMBL1667902 | N-(2,4-dihydroindeno[1,2-c]pyrazol...)
Show SMILES C1c2c[nH]nc2-c2ccc(Nc3c(oc4cnccc34)-c3ncccn3)cc12
Show InChI InChI=1S/C21H14N6O/c1-5-23-21(24-6-1)20-19(16-4-7-22-11-17(16)28-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h1-7,9-11,26H,8H2,(H,25,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50335963
PNG
(CHEMBL1667925 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 1248-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.039
BindingDB Entry DOI: 10.7270/Q23X86XG
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336300
PNG
(3-(1-(hydroxyimino)isoindolin-5-ylamino)-N-isoprop...)
Show SMILES CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2C(NO)=NCc2c1
Show InChI InChI=1S/C19H19N5O3/c1-10(2)22-19(25)17-16(14-5-6-20-9-15(14)27-17)23-12-3-4-13-11(7-12)8-21-18(13)24-26/h3-7,9-10,23,26H,8H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336301
PNG
(CHEMBL1667865 | N-(3-(3-aminopropyl)-7-chloro-1H-i...)
Show SMILES NCCCc1n[nH]c2c(Cl)ccc(Nc3c(oc4cnccc34)-c3ncccn3)c12
Show InChI InChI=1S/C21H18ClN7O/c22-13-4-5-14(17-15(3-1-7-23)28-29-19(13)17)27-18-12-6-10-24-11-16(12)30-20(18)21-25-8-2-9-26-21/h2,4-6,8-11,27H,1,3,7,23H2,(H,28,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336302
PNG
(CHEMBL1667917 | N-(6-chloro-1H-indazol-4-yl)-2-(py...)
Show SMILES Clc1cc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c2c1
Show InChI InChI=1S/C18H11ClN6O/c19-10-6-13(12-8-23-25-14(12)7-10)24-16-11-2-5-20-9-15(11)26-17(16)18-21-3-1-4-22-18/h1-9,24H,(H,23,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336303
PNG
(CHEMBL1667915 | N-(1H-indazol-4-yl)-2-(pyrimidin-2...)
Show SMILES N(c1c(oc2cnccc12)-c1ncccn1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C18H12N6O/c1-3-13(12-9-22-24-14(12)4-1)23-16-11-5-8-19-10-15(11)25-17(16)18-20-6-2-7-21-18/h1-10,23H,(H,22,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336304
PNG
(CHEMBL1667921 | N-(7-fluoro-1H-indazol-4-yl)-2-(py...)
Show SMILES Fc1ccc(Nc2c(oc3cnccc23)-c2ncccn2)c2cn[nH]c12
Show InChI InChI=1S/C18H11FN6O/c19-12-2-3-13(11-8-23-25-15(11)12)24-16-10-4-7-20-9-14(10)26-17(16)18-21-5-1-6-22-18/h1-9,24H,(H,23,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336305
PNG
(3-(7-chloro-1H-indazol-4-ylamino)-N-isopropylfuro[...)
Show SMILES CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c2[nH]ncc12
Show InChI InChI=1S/C18H16ClN5O2/c1-9(2)22-18(25)17-16(10-5-6-20-8-14(10)26-17)23-13-4-3-12(19)15-11(13)7-21-24-15/h3-9,23H,1-2H3,(H,21,24)(H,22,25)
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n/an/a 4.20E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336306
PNG
(3-(2,4-dihydroindeno[1,2-c]pyrazol-6-ylamino)-N-(2...)
Show SMILES CN=CCNC(=O)c1oc2cnccc2c1Nc1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C21H18N6O2/c1-22-6-7-24-21(28)20-19(16-4-5-23-11-17(16)29-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h2-6,9-11,26H,7-8H2,1H3,(H,24,28)(H,25,27)
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n/an/a 4.60E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336307
PNG
(CHEMBL1667904 | ethyl 3-(quinolin-3-ylamino)furo[2...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1cnc2ccccc2c1
Show InChI InChI=1S/C19H15N3O3/c1-2-24-19(23)18-17(14-7-8-20-11-16(14)25-18)22-13-9-12-5-3-4-6-15(12)21-10-13/h3-11,22H,2H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336308
PNG
(CHEMBL1667898 | ethyl 3-(1-oxo-2,3-dihydro-1H-inde...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)18-17(14-7-8-20-10-16(14)25-18)21-12-4-5-13-11(9-12)3-6-15(13)22/h4-5,7-10,21H,2-3,6H2,1H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336309
PNG
(3-(2,4-dihydroindeno[1,2-c]pyrazol-6-ylamino)-N-is...)
Show SMILES CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C21H19N5O2/c1-11(2)24-21(27)20-19(16-5-6-22-10-17(16)28-20)25-14-3-4-15-12(8-14)7-13-9-23-26-18(13)15/h3-6,8-11,25H,7H2,1-2H3,(H,23,26)(H,24,27)
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n/an/a 7.80E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335963
PNG
(CHEMBL1667925 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 1248-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.039
BindingDB Entry DOI: 10.7270/Q23X86XG
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50336310
PNG
(CHEMBL1667905 | ethyl 3-(5-aminonaphthalen-2-ylami...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(N)cccc2c1
Show InChI InChI=1S/C20H17N3O3/c1-2-25-20(24)19-18(15-8-9-22-11-17(15)26-19)23-13-6-7-14-12(10-13)4-3-5-16(14)21/h3-11,23H,2,21H2,1H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of pERK


Bioorg Med Chem Lett 21: 1243-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.061
BindingDB Entry DOI: 10.7270/Q2NS0V51
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50335963
PNG
(CHEMBL1667925 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...)
Show SMILES CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 1248-52 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.039
BindingDB Entry DOI: 10.7270/Q23X86XG
More data for this
Ligand-Target Pair