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SMILES: N[C@H](COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1

InChI Key: InChIKey=DQQCXFUUJRYTMD-QGZVFWFLSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 259276   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM259276
PNG
(US9499547, 17)
Show SMILES N[C@H](COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |r|
Show InChI InChI=1S/C22H18N4O2/c23-17(15-6-2-1-3-7-15)14-27-22-11-10-21-24-13-18(26(21)25-22)20-12-16-8-4-5-9-19(16)28-20/h1-13,17H,14,23H2/t17-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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
Glutathione S-transferase P/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM259276
PNG
(US9499547, 17)
Show SMILES N[C@H](COc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1 |r|
Show InChI InChI=1S/C22H18N4O2/c23-17(15-6-2-1-3-7-15)14-27-22-11-10-21-24-13-18(26(21)25-22)20-12-16-8-4-5-9-19(16)28-20/h1-13,17H,14,23H2/t17-/m1/s1
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
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