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BDBM259284 US9499547, 25

SMILES: N[C@H]1CCC[C@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1

InChI Key: InChIKey=BCUZWVGODXHEOL-XJKSGUPXSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 259284   
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/MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM259284
PNG
(US9499547, 25)
Show SMILES N[C@H]1CCC[C@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1S/C19H18N4O2/c20-13-5-3-7-16(13)25-19-9-8-18-21-11-14(23(18)22-19)17-10-12-4-1-2-6-15(12)24-17/h1-2,4,6,8-11,13,16H,3,5,7,20H2/t13-,16+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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/MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM259284
PNG
(US9499547, 25)
Show SMILES N[C@H]1CCC[C@H]1Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1S/C19H18N4O2/c20-13-5-3-7-16(13)25-19-9-8-18-21-11-14(23(18)22-19)17-10-12-4-1-2-6-15(12)24-17/h1-2,4,6,8-11,13,16H,3,5,7,20H2/t13-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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