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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 259281   
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
Glutathione S-transferase P/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM259281
PNG
(US9499547, 22)
Show SMILES N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1 |r,wU:3.3,wD:1.0,(-7.18,-.29,;-5.85,.48,;-4.36,.08,;-3.96,1.57,;-2.63,2.34,;-1.29,1.57,;.04,2.34,;.04,3.88,;1.37,4.65,;2.71,3.88,;4.17,4.36,;5.08,3.11,;4.17,1.87,;4.57,.38,;3.67,-.87,;4.57,-2.11,;4.25,-3.62,;5.4,-4.65,;6.86,-4.18,;7.18,-2.67,;6.04,-1.64,;6.04,-.1,;2.71,2.34,;1.37,1.57,;-5.45,1.97,)|
Show InChI InChI=1S/C19H18N4O2/c20-14-7-12(8-14)11-24-19-6-5-18-21-10-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9-10,12,14H,7-8,11,20H2/t12-,14-
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair
Glutathione S-transferase P/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM259281
PNG
(US9499547, 22)
Show SMILES N[C@H]1C[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1 |r,wU:3.3,wD:1.0,(-7.18,-.29,;-5.85,.48,;-4.36,.08,;-3.96,1.57,;-2.63,2.34,;-1.29,1.57,;.04,2.34,;.04,3.88,;1.37,4.65,;2.71,3.88,;4.17,4.36,;5.08,3.11,;4.17,1.87,;4.57,.38,;3.67,-.87,;4.57,-2.11,;4.25,-3.62,;5.4,-4.65,;6.86,-4.18,;7.18,-2.67,;6.04,-1.64,;6.04,-.1,;2.71,2.34,;1.37,1.57,;-5.45,1.97,)|
Show InChI InChI=1S/C19H18N4O2/c20-14-7-12(8-14)11-24-19-6-5-18-21-10-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9-10,12,14H,7-8,11,20H2/t12-,14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...


US Patent US9499547 (2016)


BindingDB Entry DOI: 10.7270/Q2736PVK
More data for this
Ligand-Target Pair