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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 4' and Ligand = 'BDBM299545'   
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))
BDBM299545
PNG
(N-[6-(3-amino-5- fluoro-phenyl) pyrido[3,2-d] pyri...)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(NC(=O)CN3CCCC3)c2n1
Show InChI InChI=1S/C19H19FN6O/c20-13-7-12(8-14(21)9-13)15-3-4-16-18(24-15)19(23-11-22-16)25-17(27)10-26-5-1-2-6-26/h3-4,7-9,11H,1-2,5-6,10,21H2,(H,22,23,25,27)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 232n/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
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM299545
PNG
(N-[6-(3-amino-5- fluoro-phenyl) pyrido[3,2-d] pyri...)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(NC(=O)CN3CCCC3)c2n1
Show InChI InChI=1S/C19H19FN6O/c20-13-7-12(8-14(21)9-13)15-3-4-16-18(24-15)19(23-11-22-16)25-17(27)10-26-5-1-2-6-26/h3-4,7-9,11H,1-2,5-6,10,21H2,(H,22,23,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 232n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair