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SMILES: CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12

InChI Key: InChIKey=BTJOSZCOBPWUOW-RELWKKBWSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50506721   
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
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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PC sid
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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
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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KEGG

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PC sid
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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
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
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+
PDB
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NCI pathway
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KEGG

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UniChem
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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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 76n/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
More data for this
Ligand-Target Pair