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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 = 'BDBM299488'   
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))
BDBM299488
PNG
(1-[3-(4-amino- quinazolin- 6-yl)phenyl]-3- cyclope...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)NC2CCCC2)c1
Show InChI InChI=1S/C20H21N5O/c21-19-17-11-14(8-9-18(17)22-12-23-19)13-4-3-7-16(10-13)25-20(26)24-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6H2,(H2,21,22,23)(H2,24,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 136n/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))
BDBM299488
PNG
(1-[3-(4-amino- quinazolin- 6-yl)phenyl]-3- cyclope...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)NC2CCCC2)c1
Show InChI InChI=1S/C20H21N5O/c21-19-17-11-14(8-9-18(17)22-12-23-19)13-4-3-7-16(10-13)25-20(26)24-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6H2,(H2,21,22,23)(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 136n/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