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SMILES: Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12

InChI Key: InChIKey=YPUXXNJBUOZMOQ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50338287   
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))
BDBM50338287
PNG
(CHEMBL1682010 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Show InChI InChI=1S/C19H17N5OS/c1-11-10-26-19(17(11)18-21-12(2)23-24-18)22-16(25)9-13-5-3-7-15-14(13)6-4-8-20-15/h3-8,10H,9H2,1-2H3,(H,22,25)(H,21,23,24)
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PubMed
n/an/a 81n/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))
BDBM50338287
PNG
(CHEMBL1682010 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Show InChI InChI=1S/C19H17N5OS/c1-11-10-26-19(17(11)18-21-12(2)23-24-18)22-16(25)9-13-5-3-7-15-14(13)6-4-8-20-15/h3-8,10H,9H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a 45n/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))
BDBM50338287
PNG
(CHEMBL1682010 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Show InChI InChI=1S/C19H17N5OS/c1-11-10-26-19(17(11)18-21-12(2)23-24-18)22-16(25)9-13-5-3-7-15-14(13)6-4-8-20-15/h3-8,10H,9H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a 80n/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))
BDBM50338287
PNG
(CHEMBL1682010 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Show InChI InChI=1S/C19H17N5OS/c1-11-10-26-19(17(11)18-21-12(2)23-24-18)22-16(25)9-13-5-3-7-15-14(13)6-4-8-20-15/h3-8,10H,9H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a>5.00E+4n/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))
BDBM50338287
PNG
(CHEMBL1682010 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
Show InChI InChI=1S/C19H17N5OS/c1-11-10-26-19(17(11)18-21-12(2)23-24-18)22-16(25)9-13-5-3-7-15-14(13)6-4-8-20-15/h3-8,10H,9H2,1-2H3,(H,22,25)(H,21,23,24)
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Article
PubMed
n/an/a>5.00E+4n/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