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BDBM50332063 CHEMBL1287858::methyl 2-(2-(naphthalen-1-yl)acetamido)benzoate

SMILES: COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=GOPWYMQLDSLIRK-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 = 50332063   
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))
BDBM50332063
PNG
(CHEMBL1287858 | methyl 2-(2-(naphthalen-1-yl)aceta...)
Show SMILES COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C20H17NO3/c1-24-20(23)17-11-4-5-12-18(17)21-19(22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H,21,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/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))
BDBM50332063
PNG
(CHEMBL1287858 | methyl 2-(2-(naphthalen-1-yl)aceta...)
Show SMILES COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C20H17NO3/c1-24-20(23)17-11-4-5-12-18(17)21-19(22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H,21,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.70E+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))
BDBM50332063
PNG
(CHEMBL1287858 | methyl 2-(2-(naphthalen-1-yl)aceta...)
Show SMILES COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C20H17NO3/c1-24-20(23)17-11-4-5-12-18(17)21-19(22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.31E+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