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SMILES: COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12

InChI Key: InChIKey=VYQHPOVDIRILEA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50338282   
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 9


(Homo sapiens (Human))
BDBM50338282
PNG
(CHEMBL1682005 | methyl 4-methyl-2-(2-(2-oxo-3,4-di...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
Show InChI InChI=1S/C18H18N2O4S/c1-11-10-25-17(16(11)18(23)24-2)19-14(21)9-20-13-6-4-3-5-12(13)7-8-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,19,21)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 703n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50338282
PNG
(CHEMBL1682005 | methyl 4-methyl-2-(2-(2-oxo-3,4-di...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
Show InChI InChI=1S/C18H18N2O4S/c1-11-10-25-17(16(11)18(23)24-2)19-14(21)9-20-13-6-4-3-5-12(13)7-8-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,19,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50338282
PNG
(CHEMBL1682005 | methyl 4-methyl-2-(2-(2-oxo-3,4-di...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
Show InChI InChI=1S/C18H18N2O4S/c1-11-10-25-17(16(11)18(23)24-2)19-14(21)9-20-13-6-4-3-5-12(13)7-8-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair