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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9' and Ligand = 'BDBM50332082'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50332082
PNG
(2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



IMAGO PHARMACEUTICALS, INC.

US Patent


Assay Description
(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...


US Patent US9796706 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MHK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332082
PNG
(2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.19E+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