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BDBM50345611 3-(2-methylpyridin-4-yl)-4-(naphthalen-2-yl)-1H-1,2,4-triazole-5(4H)-thione::CHEMBL1784644

SMILES: Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1

InChI Key: InChIKey=JGWBLISHUBMWNZ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50345611   
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))
BDBM50345611
PNG
(3-(2-methylpyridin-4-yl)-4-(naphthalen-2-yl)-1H-1,...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N4S/c1-12-10-15(8-9-19-12)17-20-21-18(23)22(17)16-7-6-13-4-2-3-5-14(13)11-16/h2-11H,1H3,(H,21,23)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by TR-FRET assay


Bioorg Med Chem Lett 21: 3726-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.074
BindingDB Entry DOI: 10.7270/Q2WQ044C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50345611
PNG
(3-(2-methylpyridin-4-yl)-4-(naphthalen-2-yl)-1H-1,...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N4S/c1-12-10-15(8-9-19-12)17-20-21-18(23)22(17)16-7-6-13-4-2-3-5-14(13)11-16/h2-11H,1H3,(H,21,23)
PDB
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KEGG

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem Lett 21: 3726-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.074
BindingDB Entry DOI: 10.7270/Q2WQ044C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50345611
PNG
(3-(2-methylpyridin-4-yl)-4-(naphthalen-2-yl)-1H-1,...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N4S/c1-12-10-15(8-9-19-12)17-20-21-18(23)22(17)16-7-6-13-4-2-3-5-14(13)11-16/h2-11H,1H3,(H,21,23)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by TR-FRET assay


Bioorg Med Chem Lett 21: 3726-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.074
BindingDB Entry DOI: 10.7270/Q2WQ044C
More data for this
Ligand-Target Pair