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SMILES: COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1

InChI Key: InChIKey=DIUBLEYZTHWMDJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50338275   
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))
BDBM50338275
PNG
(CHEMBL1681999 | methyl 2-(2-(4-(3-(1H-imidazol-1-y...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1
Show InChI InChI=1S/C21H23N3O4S/c1-15-13-29-20(19(15)21(26)27-2)23-18(25)12-16-4-6-17(7-5-16)28-11-3-9-24-10-8-22-14-24/h4-8,10,13-14H,3,9,11-12H2,1-2H3,(H,23,25)
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Article
PubMed
n/an/a 4.52E+3n/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))
BDBM50338275
PNG
(CHEMBL1681999 | methyl 2-(2-(4-(3-(1H-imidazol-1-y...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1
Show InChI InChI=1S/C21H23N3O4S/c1-15-13-29-20(19(15)21(26)27-2)23-18(25)12-16-4-6-17(7-5-16)28-11-3-9-24-10-8-22-14-24/h4-8,10,13-14H,3,9,11-12H2,1-2H3,(H,23,25)
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Article
PubMed
n/an/a 504n/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))
BDBM50338275
PNG
(CHEMBL1681999 | methyl 2-(2-(4-(3-(1H-imidazol-1-y...)
Show SMILES COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1
Show InChI InChI=1S/C21H23N3O4S/c1-15-13-29-20(19(15)21(26)27-2)23-18(25)12-16-4-6-17(7-5-16)28-11-3-9-24-10-8-22-14-24/h4-8,10,13-14H,3,9,11-12H2,1-2H3,(H,23,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 597n/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