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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]' and Ligand = 'BDBM214639'   
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
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM214639
PNG
(US9284319, 7)
Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D]


(Homo sapiens (Human))
BDBM214639
PNG
(US9284319, 7)
Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r|
Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair