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SMILES: NCC(Cc1ccccc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1

InChI Key: InChIKey=HHFGLHGTSSJJFJ-UHFFFAOYSA-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 = 259285   
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))
BDBM259285
PNG
(US9499547, 26)
Show SMILES NCC(Cc1ccccc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:2.2|
Show InChI InChI=1S/C23H20N4O2/c24-14-18(12-16-6-2-1-3-7-16)28-23-11-10-22-25-15-19(27(22)26-23)21-13-17-8-4-5-9-20(17)29-21/h1-11,13,15,18H,12,14,24H2
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 25n/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))
BDBM259285
PNG
(US9499547, 26)
Show SMILES NCC(Cc1ccccc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1 |w:2.2|
Show InChI InChI=1S/C23H20N4O2/c24-14-18(12-16-6-2-1-3-7-16)28-23-11-10-22-25-15-19(27(22)26-23)21-13-17-8-4-5-9-20(17)29-21/h1-11,13,15,18H,12,14,24H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/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