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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.3
BDBM299395

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

Found 2 hits 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))
BDBM299395
PNG
(N-[3-(4-amino- quinazolin-6- yl)-5-fluoro- phenyl]...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CC2CCCO2)c1
Show InChI InChI=1S/C20H19FN4O2/c21-14-6-13(12-3-4-18-17(8-12)20(22)24-11-23-18)7-15(9-14)25-19(26)10-16-2-1-5-27-16/h3-4,6-9,11,16H,1-2,5,10H2,(H,25,26)(H2,22,23,24)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 844n/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))
BDBM299395
PNG
(N-[3-(4-amino- quinazolin-6- yl)-5-fluoro- phenyl]...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CC2CCCO2)c1
Show InChI InChI=1S/C20H19FN4O2/c21-14-6-13(12-3-4-18-17(8-12)20(22)24-11-23-18)7-15(9-14)25-19(26)10-16-2-1-5-27-16/h3-4,6-9,11,16H,1-2,5,10H2,(H,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 844n/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