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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 = 'BDBM50352623'   
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))
BDBM50352623
PNG
(CHEMBL1822154 | US9796706, Compound 150)
Show SMILES Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1
Show InChI InChI=1S/C17H13BrN4O2S2/c18-10-9-26-17(15(10)16-20-6-7-25-16)21-13(23)8-22-12-2-1-5-19-11(12)3-4-14(22)24/h1-2,5-7,9H,3-4,8H2,(H,21,23)
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MMDB

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Similars

Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50352623
PNG
(CHEMBL1822154 | US9796706, Compound 150)
Show SMILES Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1
Show InChI InChI=1S/C17H13BrN4O2S2/c18-10-9-26-17(15(10)16-20-6-7-25-16)21-13(23)8-22-12-2-1-5-19-11(12)3-4-14(22)24/h1-2,5-7,9H,3-4,8H2,(H,21,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents


Similars

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