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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50007145   
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
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506722
PNG
(CHEMBL4439862)
Show SMILES Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12
Show InChI InChI=1S/C16H11N3O/c1-9-5-4-8-12-13(9)18-14-10-6-2-3-7-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/a 500n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506715
PNG
(CHEMBL4449918)
Show SMILES Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C
Show InChI InChI=1S/C17H13N3O/c1-9-7-13-14(8-10(9)2)19-17-15(18-13)11-5-3-4-6-12(11)16(17)20-21/h3-8,21H,1-2H3/b20-16-
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n/an/a 600n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506716
PNG
(CHEMBL4521282)
Show SMILES Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Show InChI InChI=1S/C16H11N3O/c1-9-6-7-12-13(8-9)18-14-10-4-2-3-5-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/a 900n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506712
PNG
(CHEMBL4583031)
Show SMILES O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C15H8ClN3O/c16-8-5-6-11-12(7-8)18-13-9-3-1-2-4-10(9)14(19-20)15(13)17-11/h1-7,20H/b19-14-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506720
PNG
(CHEMBL4514173)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccncc3nc12
Show InChI InChI=1S/C14H8N4O/c19-18-13-9-4-2-1-3-8(9)12-14(13)17-11-7-15-6-5-10(11)16-12/h1-7,19H/b18-13-
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n/an/a 2.10E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506717
PNG
(CHEMBL3759098)
Show SMILES O\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506721
PNG
(CHEMBL4582239)
Show SMILES CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506723
PNG
(CHEMBL4474210)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C15H8N4O3/c20-18-14-10-4-2-1-3-9(10)13-15(14)17-12-7-8(19(21)22)5-6-11(12)16-13/h1-7,20H/b18-14-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506715
PNG
(CHEMBL4449918)
Show SMILES Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C
Show InChI InChI=1S/C17H13N3O/c1-9-7-13-14(8-10(9)2)19-17-15(18-13)11-5-3-4-6-12(11)16(17)20-21/h3-8,21H,1-2H3/b20-16-
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n/an/a 2.90E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506723
PNG
(CHEMBL4474210)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C15H8N4O3/c20-18-14-10-4-2-1-3-9(10)13-15(14)17-12-7-8(19(21)22)5-6-11(12)16-13/h1-7,20H/b18-14-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506722
PNG
(CHEMBL4439862)
Show SMILES Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12
Show InChI InChI=1S/C16H11N3O/c1-9-5-4-8-12-13(9)18-14-10-6-2-3-7-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506718
PNG
(CHEMBL1098827)
Show SMILES O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H9N3O2/c19-15-9-5-1-3-7-11(9)16-14-13(17-20)10-6-2-4-8-12(10)18(14)15/h1-8,20H/b17-13+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506719
PNG
(CHEMBL4457644)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12
Show InChI InChI=1S/C14H7ClN4O/c15-7-5-10-14(16-6-7)18-11-8-3-1-2-4-9(8)12(19-20)13(11)17-10/h1-6,20H/b19-12-
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n/an/a 3.30E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506721
PNG
(CHEMBL4582239)
Show SMILES CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506725
PNG
(CHEMBL4593099)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12
Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506717
PNG
(CHEMBL3759098)
Show SMILES O\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506718
PNG
(CHEMBL1098827)
Show SMILES O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H9N3O2/c19-15-9-5-1-3-7-11(9)16-14-13(17-20)10-6-2-4-8-12(10)18(14)15/h1-8,20H/b17-13+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506716
PNG
(CHEMBL4521282)
Show SMILES Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Show InChI InChI=1S/C16H11N3O/c1-9-6-7-12-13(8-9)18-14-10-4-2-3-5-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/a 3.90E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506725
PNG
(CHEMBL4593099)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12
Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-
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n/an/a 4.30E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506724
PNG
(CHEMBL4536915)
Show SMILES OCCO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C17H13N3O2/c21-9-10-22-20-16-12-6-2-1-5-11(12)15-17(16)19-14-8-4-3-7-13(14)18-15/h1-8,21H,9-10H2/b20-16+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506720
PNG
(CHEMBL4514173)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccncc3nc12
Show InChI InChI=1S/C14H8N4O/c19-18-13-9-4-2-1-3-8(9)12-14(13)17-11-7-15-6-5-10(11)16-12/h1-7,19H/b18-13-
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n/an/a 5.40E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506712
PNG
(CHEMBL4583031)
Show SMILES O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C15H8ClN3O/c16-8-5-6-11-12(7-8)18-13-9-3-1-2-4-10(9)14(19-20)15(13)17-11/h1-7,20H/b19-14-
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n/an/a 5.50E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506724
PNG
(CHEMBL4536915)
Show SMILES OCCO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C17H13N3O2/c21-9-10-22-20-16-12-6-2-1-5-11(12)15-17(16)19-14-8-4-3-7-13(14)18-15/h1-8,21H,9-10H2/b20-16+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506726
PNG
(CHEMBL4524938)
Show SMILES CCOc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Show InChI InChI=1S/C17H13N3O2/c1-2-22-10-7-8-13-14(9-10)19-15-11-5-3-4-6-12(11)16(20-21)17(15)18-13/h3-9,21H,2H2,1H3/b20-16-
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n/an/a 5.90E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506719
PNG
(CHEMBL4457644)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12
Show InChI InChI=1S/C14H7ClN4O/c15-7-5-10-14(16-6-7)18-11-8-3-1-2-4-9(8)12(19-20)13(11)17-10/h1-6,20H/b19-12-
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n/an/a 6.70E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506726
PNG
(CHEMBL4524938)
Show SMILES CCOc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Show InChI InChI=1S/C17H13N3O2/c1-2-22-10-7-8-13-14(9-10)19-15-11-5-3-4-6-12(11)16(20-21)17(15)18-13/h3-9,21H,2H2,1H3/b20-16-
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n/an/a 6.70E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506714
PNG
(CHEMBL4553054)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O
Show InChI InChI=1S/C16H9N3O3/c20-16(21)8-5-6-11-12(7-8)18-15-13(17-11)9-3-1-2-4-10(9)14(15)19-22/h1-7,22H,(H,20,21)/b19-14-
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n/an/a 1.11E+4n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50506714
PNG
(CHEMBL4553054)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O
Show InChI InChI=1S/C16H9N3O3/c20-16(21)8-5-6-11-12(7-8)18-15-13(17-11)9-3-1-2-4-10(9)14(15)19-22/h1-7,22H,(H,20,21)/b19-14-
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n/an/a 2.46E+4n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50506718
PNG
(CHEMBL1098827)
Show SMILES O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H9N3O2/c19-15-9-5-1-3-7-11(9)16-14-13(17-20)10-6-2-4-8-12(10)18(14)15/h1-8,20H/b17-13+
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n/an/an/a 1.30E+4n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length TRKC (Q531 to G825 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50506719
PNG
(CHEMBL4457644)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12
Show InChI InChI=1S/C14H7ClN4O/c15-7-5-10-14(16-6-7)18-11-8-3-1-2-4-9(8)12(19-20)13(11)17-10/h1-6,20H/b19-12-
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n/an/an/a 5.30E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50506720
PNG
(CHEMBL4514173)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccncc3nc12
Show InChI InChI=1S/C14H8N4O/c19-18-13-9-4-2-1-3-8(9)12-14(13)17-11-7-15-6-5-10(11)16-12/h1-7,19H/b18-13-
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n/an/an/a 950n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50506721
PNG
(CHEMBL4582239)
Show SMILES CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
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n/an/an/a 22n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/an/a 100n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/an/a 2.30E+4n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506722
PNG
(CHEMBL4439862)
Show SMILES Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12
Show InChI InChI=1S/C16H11N3O/c1-9-5-4-8-12-13(9)18-14-10-6-2-3-7-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/an/a 2.50E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506714
PNG
(CHEMBL4553054)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O
Show InChI InChI=1S/C16H9N3O3/c20-16(21)8-5-6-11-12(7-8)18-15-13(17-11)9-3-1-2-4-10(9)14(15)19-22/h1-7,22H,(H,20,21)/b19-14-
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n/an/an/a 6.00E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506716
PNG
(CHEMBL4521282)
Show SMILES Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Show InChI InChI=1S/C16H11N3O/c1-9-6-7-12-13(8-9)18-14-10-4-2-3-5-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/an/a 840n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506723
PNG
(CHEMBL4474210)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C15H8N4O3/c20-18-14-10-4-2-1-3-9(10)13-15(14)17-12-7-8(19(21)22)5-6-11(12)16-13/h1-7,20H/b18-14-
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n/an/an/a 1.20E+4n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506712
PNG
(CHEMBL4583031)
Show SMILES O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C15H8ClN3O/c16-8-5-6-11-12(7-8)18-13-9-3-1-2-4-10(9)14(19-20)15(13)17-11/h1-7,20H/b19-14-
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n/an/an/a 2.15E+4n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506719
PNG
(CHEMBL4457644)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12
Show InChI InChI=1S/C14H7ClN4O/c15-7-5-10-14(16-6-7)18-11-8-3-1-2-4-9(8)12(19-20)13(11)17-10/h1-6,20H/b19-12-
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n/an/an/a 6.40E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506721
PNG
(CHEMBL4582239)
Show SMILES CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
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n/an/an/a 735n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506724
PNG
(CHEMBL4536915)
Show SMILES OCCO\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C17H13N3O2/c21-9-10-22-20-16-12-6-2-1-5-11(12)15-17(16)19-14-8-4-3-7-13(14)18-15/h1-8,21H,9-10H2/b20-16+
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n/an/an/a 1.25E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506717
PNG
(CHEMBL3759098)
Show SMILES O\N=C1/c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14+
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n/an/an/a 360n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50506718
PNG
(CHEMBL1098827)
Show SMILES O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H9N3O2/c19-15-9-5-1-3-7-11(9)16-14-13(17-20)10-6-2-4-8-12(10)18(14)15/h1-8,20H/b17-13+
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n/an/an/a 1.00E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50506715
PNG
(CHEMBL4449918)
Show SMILES Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C
Show InChI InChI=1S/C17H13N3O/c1-9-7-13-14(8-10(9)2)19-17-15(18-13)11-5-3-4-6-12(11)16(17)20-21/h3-8,21H,1-2H3/b20-16-
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n/an/an/a 1.30E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length JNK3 (V28 to Q422 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50506716
PNG
(CHEMBL4521282)
Show SMILES Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
Show InChI InChI=1S/C16H11N3O/c1-9-6-7-12-13(8-9)18-14-10-4-2-3-5-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
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n/an/an/a 340n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length JNK3 (V28 to Q422 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50506712
PNG
(CHEMBL4583031)
Show SMILES O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C15H8ClN3O/c16-8-5-6-11-12(7-8)18-13-9-3-1-2-4-10(9)14(19-20)15(13)17-11/h1-7,20H/b19-14-
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n/an/an/a 710n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length JNK3 (V28 to Q422 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50506725
PNG
(CHEMBL4593099)
Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12
Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-
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n/an/an/a 390n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length JNK3 (V28 to Q422 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method


Eur J Med Chem 161: 179-191 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58
More data for this
Ligand-Target Pair
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