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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)' and Ligand = 'BDBM259262'   
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
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259262
PNG
(US9499547, 3)
Show SMILES N[C@H]1C[C@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:3.5,1.0,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H16N4O2/c19-12-8-13(9-12)23-18-6-5-17-20-10-14(22(17)21-18)16-7-11-3-1-2-4-15(11)24-16/h1-7,10,12-13H,8-9,19H2/t12-,13+
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259262
PNG
(US9499547, 3)
Show SMILES N[C@H]1C[C@H](C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:3.5,1.0,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.86,3.8,;3.32,4.28,;4.23,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;4.91,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.86,2.26,;.52,1.49,)|
Show InChI InChI=1/C18H16N4O2/c19-12-8-13(9-12)23-18-6-5-17-20-10-14(22(17)21-18)16-7-11-3-1-2-4-15(11)24-16/h1-7,10,12-13H,8-9,19H2/t12-,13+
PDB
MMDB

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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