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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 361.4
BDBM25191
Wt: 347.4
BDBM25981
Wt: 362.8
BDBM32478
Wt: 346.8
BDBM32479
Wt: 344.8
BDBM32480
Wt: 376.9
BDBM32481
Wt: 370.8
BDBM32483
Wt: 357.8
BDBM32485
Wt: 376.8
BDBM32488
Wt: 360.3
BDBM32489
Wt: 367.3
BDBM32490
Wt: 356.4
BDBM32491
Wt: 370.4
BDBM32493
Wt: 380.4
BDBM32494
Wt: 372.4
BDBM32496
Displayed 1 to 15 (of 53 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 34 hits in this display   
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
Lck


(Mus musculus)
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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20 -43.5 59n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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400 -36.2 2.50E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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480 -35.7 3.00E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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480 -35.7 3.00E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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480n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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>4.00E+3>-30.5>1.60E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (human))
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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>4.00E+3>-30.5>1.60E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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>5.40E+3>-29.8>1.60E+4n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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n/an/a 25n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...


Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32488
PNG
(aryl piperidine, 9d)
Show SMILES Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C19H21ClN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23)
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n/an/a 40n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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n/an/a 59n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32488
PNG
(aryl piperidine, 9d)
Show SMILES Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C19H21ClN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23)
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n/an/a 80n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32494
PNG
(aryl piperidine, 9j)
Show SMILES CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C22H24N2O4/c1-3-5-17-8-9-19(28-17)21(25)23-18-7-4-6-16(2)20(18)24-12-10-22(11-13-24)26-14-15-27-22/h4,6-9H,10-15H2,1-2H3,(H,23,25)
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n/an/a 110n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32494
PNG
(aryl piperidine, 9j)
Show SMILES CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C22H24N2O4/c1-3-5-17-8-9-19(28-17)21(25)23-18-7-4-6-16(2)20(18)24-12-10-22(11-13-24)26-14-15-27-22/h4,6-9H,10-15H2,1-2H3,(H,23,25)
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n/an/a 110n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32489
PNG
(aryl piperidine, 9e)
Show SMILES Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C19H21FN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23)
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n/an/a 210n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32490
PNG
(aryl piperidine, 9f)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H21N3O4/c1-14-3-2-4-16(22-19(24)17-6-5-15(13-21)27-17)18(14)23-9-7-20(8-10-23)25-11-12-26-20/h2-6H,7-12H2,1H3,(H,22,24)
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n/an/a 210n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32490
PNG
(aryl piperidine, 9f)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H21N3O4/c1-14-3-2-4-16(22-19(24)17-6-5-15(13-21)27-17)18(14)23-9-7-20(8-10-23)25-11-12-26-20/h2-6H,7-12H2,1H3,(H,22,24)
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n/an/a 230n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32491
PNG
(aryl piperidine, 9g)
Show SMILES Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24N2O4/c1-14-4-3-5-16(21-19(23)17-7-6-15(2)26-17)18(14)22-10-8-20(9-11-22)24-12-13-25-20/h3-7H,8-13H2,1-2H3,(H,21,23)
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n/an/a 330n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32489
PNG
(aryl piperidine, 9e)
Show SMILES Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C19H21FN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32496
PNG
(aryl piperidine, 9l)
Show SMILES COc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24N2O5/c1-14-4-3-5-15(21-19(23)16-6-7-17(24-2)27-16)18(14)22-10-8-20(9-11-22)25-12-13-26-20/h3-7H,8-13H2,1-2H3,(H,21,23)
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n/an/a 450n/an/an/an/an/an/a



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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32491
PNG
(aryl piperidine, 9g)
Show SMILES Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24N2O4/c1-14-4-3-5-16(21-19(23)17-7-6-15(2)26-17)18(14)22-10-8-20(9-11-22)24-12-13-25-20/h3-7H,8-13H2,1-2H3,(H,21,23)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32496
PNG
(aryl piperidine, 9l)
Show SMILES COc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24N2O5/c1-14-4-3-5-15(21-19(23)16-6-7-17(24-2)27-16)18(14)22-10-8-20(9-11-22)25-12-13-26-20/h3-7H,8-13H2,1-2H3,(H,21,23)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32493
PNG
(aryl piperidine, 9i)
Show SMILES CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C21H26N2O4/c1-3-16-7-8-18(27-16)20(24)22-17-6-4-5-15(2)19(17)23-11-9-21(10-12-23)25-13-14-26-21/h4-8H,3,9-14H2,1-2H3,(H,22,24)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32493
PNG
(aryl piperidine, 9i)
Show SMILES CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C21H26N2O4/c1-3-16-7-8-18(27-16)20(24)22-17-6-4-5-15(2)19(17)23-11-9-21(10-12-23)25-13-14-26-21/h4-8H,3,9-14H2,1-2H3,(H,22,24)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32483
PNG
(piperazine amide, 6j)
Show SMILES Cc1cccc(n1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C20H23ClN4O/c1-3-10-24-11-13-25(14-12-24)19-16(21)7-5-8-17(19)23-20(26)18-9-4-6-15(2)22-18/h3-9H,1,10-14H2,2H3,(H,23,26)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32483
PNG
(piperazine amide, 6j)
Show SMILES Cc1cccc(n1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C20H23ClN4O/c1-3-10-24-11-13-25(14-12-24)19-16(21)7-5-8-17(19)23-20(26)18-9-4-6-15(2)22-18/h3-9H,1,10-14H2,2H3,(H,23,26)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32478
PNG
(piperazine amide, 6d)
Show SMILES Clc1cccc(NC(=O)c2cscn2)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C17H19ClN4OS/c1-2-6-21-7-9-22(10-8-21)16-13(18)4-3-5-14(16)20-17(23)15-11-24-12-19-15/h2-5,11-12H,1,6-10H2,(H,20,23)
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n/an/a 2.30E+3n/an/an/an/a7.022



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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32480
PNG
(piperazine amide, 6g)
Show SMILES Clc1cccc(NC(=O)c2ccc[nH]2)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H21ClN4O/c1-2-9-22-10-12-23(13-11-22)17-14(19)5-3-6-15(17)21-18(24)16-7-4-8-20-16/h2-8,20H,1,9-13H2,(H,21,24)
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n/an/a 4.50E+3n/an/an/an/an/an/a



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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32479
PNG
(piperazine amide, 6f)
Show SMILES Clc1cccc(NC(=O)c2ccno2)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C17H19ClN4O2/c1-2-8-21-9-11-22(12-10-21)16-13(18)4-3-5-14(16)20-17(23)15-6-7-19-24-15/h2-7H,1,8-12H2,(H,20,23)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32481
PNG
(piperazine amide, 6h)
Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H21ClN4OS/c1-3-7-22-8-10-23(11-9-22)17-14(19)5-4-6-15(17)21-18(24)16-12-25-13(2)20-16/h3-6,12H,1,7-11H2,2H3,(H,21,24)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32480
PNG
(piperazine amide, 6g)
Show SMILES Clc1cccc(NC(=O)c2ccc[nH]2)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H21ClN4O/c1-2-9-22-10-12-23(13-11-22)17-14(19)5-3-6-15(17)21-18(24)16-7-4-8-20-16/h2-8,20H,1,9-13H2,(H,21,24)
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n/an/a 8.90E+3n/an/an/an/a7.022



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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM32485
PNG
(piperazine amide, 6l)
Show SMILES Clc1cccc(NC(=O)c2ncccn2)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H20ClN5O/c1-2-9-23-10-12-24(13-11-23)16-14(19)5-3-6-15(16)22-18(25)17-20-7-4-8-21-17/h2-8H,1,9-13H2,(H,22,25)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM32485
PNG
(piperazine amide, 6l)
Show SMILES Clc1cccc(NC(=O)c2ncccn2)c1N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H20ClN5O/c1-2-9-23-10-12-24(13-11-23)16-14(19)5-3-6-15(16)22-18(25)17-20-7-4-8-21-17/h2-8H,1,9-13H2,(H,22,25)
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Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair