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BDBM50332048 CHEMBL1288188::methyl 3-(2-(naphthalen-1-yl)acetamido)thiophene-2-carboxylate

SMILES: COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=DYRVYVWQRUSNMF-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 = 50332048   
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 8


(Homo sapiens (Human))
BDBM50332048
PNG
(CHEMBL1288188 | methyl 3-(2-(naphthalen-1-yl)aceta...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C18H15NO3S/c1-22-18(21)17-15(9-10-23-17)19-16(20)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11H2,1H3,(H,19,20)
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PC cid
PC sid
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50332048
PNG
(CHEMBL1288188 | methyl 3-(2-(naphthalen-1-yl)aceta...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C18H15NO3S/c1-22-18(21)17-15(9-10-23-17)19-16(20)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11H2,1H3,(H,19,20)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332048
PNG
(CHEMBL1288188 | methyl 3-(2-(naphthalen-1-yl)aceta...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C18H15NO3S/c1-22-18(21)17-15(9-10-23-17)19-16(20)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11H2,1H3,(H,19,20)
PDB
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NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair