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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.4
BDBM363958

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 4


(Homo sapiens (Human))
BDBM363958
PNG
(2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluor...)
Show SMILES CN(C)C(=O)CN(C)Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C19H21FN6O/c1-25(2)17(27)10-26(3)9-12-6-13(8-14(20)7-12)15-4-5-16-18(24-15)19(21)23-11-22-16/h4-8,11H,9-10H2,1-3H3,(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


J Med Chem 46: 3709-27 (2003)


BindingDB Entry DOI: 10.7270/Q2VH5R4B
More data for this
Ligand-Target Pair