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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 = 'BDBM259279'   
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))
BDBM259279
PNG
(US9499547, 20)
Show SMILES NC[C@H]1CC(C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:2.1,(-6.51,5.2,;-6.51,3.66,;-5.18,2.89,;-3.69,3.28,;-3.29,1.8,;-4.78,1.4,;-1.96,1.03,;-.63,1.8,;-.63,3.34,;.71,4.11,;2.04,3.34,;3.51,3.81,;4.41,2.57,;3.51,1.32,;3.9,-.17,;3,-1.41,;3.9,-2.66,;3.58,-4.17,;4.73,-5.2,;6.19,-4.72,;6.51,-3.21,;5.37,-2.18,;5.37,-.64,;2.04,1.8,;.71,1.03,)|
Show InChI InChI=1/C19H18N4O2/c20-10-12-7-14(8-12)24-19-6-5-18-21-11-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9,11-12,14H,7-8,10,20H2/t12-,14?
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))
BDBM259279
PNG
(US9499547, 20)
Show SMILES NC[C@H]1CC(C1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r,wU:2.1,(-6.51,5.2,;-6.51,3.66,;-5.18,2.89,;-3.69,3.28,;-3.29,1.8,;-4.78,1.4,;-1.96,1.03,;-.63,1.8,;-.63,3.34,;.71,4.11,;2.04,3.34,;3.51,3.81,;4.41,2.57,;3.51,1.32,;3.9,-.17,;3,-1.41,;3.9,-2.66,;3.58,-4.17,;4.73,-5.2,;6.19,-4.72,;6.51,-3.21,;5.37,-2.18,;5.37,-.64,;2.04,1.8,;.71,1.03,)|
Show InChI InChI=1/C19H18N4O2/c20-10-12-7-14(8-12)24-19-6-5-18-21-11-15(23(18)22-19)17-9-13-3-1-2-4-16(13)25-17/h1-6,9,11-12,14H,7-8,10,20H2/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 6n/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