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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 = 'BDBM50332086'   
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))
BDBM50332086
PNG
(2-(isoquinolin-5-yl)-N-(2-(thiazol-4-yl)thiophen-3...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
Show InChI InChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 270n/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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332086
PNG
(2-(isoquinolin-5-yl)-N-(2-(thiazol-4-yl)thiophen-3...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
Show InChI InChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

US Patent
n/an/a 5.05E+3n/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