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SMILES: O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1

InChI Key: InChIKey=VINQLWACVZJJIO-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 = 50338264   
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 10


(Homo sapiens (Human))
BDBM50338264
PNG
(CHEMBL1682018 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H12N6OS/c19-7-13-9-26-18(16(13)17-21-10-22-24-17)23-15(25)6-11-2-1-3-12-8-20-5-4-14(11)12/h1-5,8-10H,6H2,(H,23,25)(H,21,22,24)
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Article
PubMed
n/an/a 7n/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 9


(Homo sapiens (Human))
BDBM50338264
PNG
(CHEMBL1682018 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H12N6OS/c19-7-13-9-26-18(16(13)17-21-10-22-24-17)23-15(25)6-11-2-1-3-12-8-20-5-4-14(11)12/h1-5,8-10H,6H2,(H,23,25)(H,21,22,24)
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Article
PubMed
n/an/a 26n/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 1


(Homo sapiens (Human))
BDBM50338264
PNG
(CHEMBL1682018 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H12N6OS/c19-7-13-9-26-18(16(13)17-21-10-22-24-17)23-15(25)6-11-2-1-3-12-8-20-5-4-14(11)12/h1-5,8-10H,6H2,(H,23,25)(H,21,22,24)
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PubMed
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))
BDBM50338264
PNG
(CHEMBL1682018 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H12N6OS/c19-7-13-9-26-18(16(13)17-21-10-22-24-17)23-15(25)6-11-2-1-3-12-8-20-5-4-14(11)12/h1-5,8-10H,6H2,(H,23,25)(H,21,22,24)
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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 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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50338264
PNG
(CHEMBL1682018 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H12N6OS/c19-7-13-9-26-18(16(13)17-21-10-22-24-17)23-15(25)6-11-2-1-3-12-8-20-5-4-14(11)12/h1-5,8-10H,6H2,(H,23,25)(H,21,22,24)
PDB
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UniChem

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Article
PubMed
n/an/a 11n/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