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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 417.4
BDBM50548202

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548202
PNG
(CHEMBL4751159)
Show SMILES Nc1ncc(cc1OCc1ccccc1C(F)(F)F)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair