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SMILES: COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12

InChI Key: InChIKey=YAOWLMDOOICXCZ-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50338281   
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))
BDBM50338281
PNG
(CHEMBL1681791 | methyl 2-(2-(isoquinolin-5-yl)acet...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12
Show InChI InChI=1S/C18H16N2O3S/c1-11-10-24-17(16(11)18(22)23-2)20-15(21)8-12-4-3-5-13-9-19-7-6-14(12)13/h3-7,9-10H,8H2,1-2H3,(H,20,21)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 863n/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))
BDBM50338281
PNG
(CHEMBL1681791 | methyl 2-(2-(isoquinolin-5-yl)acet...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12
Show InChI InChI=1S/C18H16N2O3S/c1-11-10-24-17(16(11)18(22)23-2)20-15(21)8-12-4-3-5-13-9-19-7-6-14(12)13/h3-7,9-10H,8H2,1-2H3,(H,20,21)
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 62n/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))
BDBM50338281
PNG
(CHEMBL1681791 | methyl 2-(2-(isoquinolin-5-yl)acet...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12
Show InChI InChI=1S/C18H16N2O3S/c1-11-10-24-17(16(11)18(22)23-2)20-15(21)8-12-4-3-5-13-9-19-7-6-14(12)13/h3-7,9-10H,8H2,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/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