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SMILES: Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1

InChI Key: InChIKey=JXLXJDMNSAFVFP-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 5 hits for monomerid = 50338285   
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))
BDBM50338285
PNG
(CHEMBL1682008 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
Show InChI InChI=1S/C24H31N5O2S/c1-17-16-32-24(22(17)23-25-18(2)27-28-23)26-21(30)15-19-7-9-20(10-8-19)31-14-6-13-29-11-4-3-5-12-29/h7-10,16H,3-6,11-15H2,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a 1.62E+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 8


(Homo sapiens (Human))
BDBM50338285
PNG
(CHEMBL1682008 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
Show InChI InChI=1S/C24H31N5O2S/c1-17-16-32-24(22(17)23-25-18(2)27-28-23)26-21(30)15-19-7-9-20(10-8-19)31-14-6-13-29-11-4-3-5-12-29/h7-10,16H,3-6,11-15H2,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a 463n/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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50338285
PNG
(CHEMBL1682008 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
Show InChI InChI=1S/C24H31N5O2S/c1-17-16-32-24(22(17)23-25-18(2)27-28-23)26-21(30)15-19-7-9-20(10-8-19)31-14-6-13-29-11-4-3-5-12-29/h7-10,16H,3-6,11-15H2,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a 197n/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 1


(Homo sapiens (Human))
BDBM50338285
PNG
(CHEMBL1682008 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
Show InChI InChI=1S/C24H31N5O2S/c1-17-16-32-24(22(17)23-25-18(2)27-28-23)26-21(30)15-19-7-9-20(10-8-19)31-14-6-13-29-11-4-3-5-12-29/h7-10,16H,3-6,11-15H2,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 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 14


(Homo sapiens (Human))
BDBM50338285
PNG
(CHEMBL1682008 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
Show InChI InChI=1S/C24H31N5O2S/c1-17-16-32-24(22(17)23-25-18(2)27-28-23)26-21(30)15-19-7-9-20(10-8-19)31-14-6-13-29-11-4-3-5-12-29/h7-10,16H,3-6,11-15H2,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha 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