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SMILES: COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=IOBZIJYYPWNRQU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50338276   
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))
BDBM50338276
PNG
(CHEMBL1682000 | methyl 4-methyl-2-(2-(4-(3-(piperi...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H30N2O4S/c1-17-16-30-22(21(17)23(27)28-2)24-20(26)15-18-7-9-19(10-8-18)29-14-6-13-25-11-4-3-5-12-25/h7-10,16H,3-6,11-15H2,1-2H3,(H,24,26)
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Article
PubMed
n/an/a 613n/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))
BDBM50338276
PNG
(CHEMBL1682000 | methyl 4-methyl-2-(2-(4-(3-(piperi...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H30N2O4S/c1-17-16-30-22(21(17)23(27)28-2)24-20(26)15-18-7-9-19(10-8-18)29-14-6-13-25-11-4-3-5-12-25/h7-10,16H,3-6,11-15H2,1-2H3,(H,24,26)
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Article
PubMed
n/an/a 99n/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))
BDBM50338276
PNG
(CHEMBL1682000 | methyl 4-methyl-2-(2-(4-(3-(piperi...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H30N2O4S/c1-17-16-30-22(21(17)23(27)28-2)24-20(26)15-18-7-9-19(10-8-18)29-14-6-13-25-11-4-3-5-12-25/h7-10,16H,3-6,11-15H2,1-2H3,(H,24,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 295n/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