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SMILES: CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C

InChI Key: InChIKey=DUBZBFMLYCNCJW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50338273   
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))
BDBM50338273
PNG
(CHEMBL1681997 | ethyl 4-ethynyl-2-(2-(4-methoxyphe...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C
Show InChI InChI=1S/C18H17NO4S/c1-4-13-11-24-17(16(13)18(21)23-5-2)19-15(20)10-12-6-8-14(22-3)9-7-12/h1,6-9,11H,5,10H2,2-3H3,(H,19,20)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.84E+4n/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 10


(Homo sapiens (Human))
BDBM50338273
PNG
(CHEMBL1681997 | ethyl 4-ethynyl-2-(2-(4-methoxyphe...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C
Show InChI InChI=1S/C18H17NO4S/c1-4-13-11-24-17(16(13)18(21)23-5-2)19-15(20)10-12-6-8-14(22-3)9-7-12/h1,6-9,11H,5,10H2,2-3H3,(H,19,20)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.02E+3n/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 8


(Homo sapiens (Human))
BDBM50338273
PNG
(CHEMBL1681997 | ethyl 4-ethynyl-2-(2-(4-methoxyphe...)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C
Show InChI InChI=1S/C18H17NO4S/c1-4-13-11-24-17(16(13)18(21)23-5-2)19-15(20)10-12-6-8-14(22-3)9-7-12/h1,6-9,11H,5,10H2,2-3H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.05E+3n/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