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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 4' and Ligand = 'BDBM225898'   
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))
BDBM225898
PNG
(MAP16 | US9592235, Example 248 | US9855269, Compou...)
Show SMILES Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
Show InChI InChI=1S/C17H18N6/c18-17-16-14(20-11-21-17)4-5-15(22-16)23-8-6-12(10-23)9-13-3-1-2-7-19-13/h1-5,7,11-12H,6,8-10H2,(H2,18,20,21)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
78.3n/a 65.7n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)


BindingDB Entry DOI: 10.7270/Q2R49PN1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225898
PNG
(MAP16 | US9592235, Example 248 | US9855269, Compou...)
Show SMILES Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
Show InChI InChI=1S/C17H18N6/c18-17-16-14(20-11-21-17)4-5-15(22-16)23-8-6-12(10-23)9-13-3-1-2-7-19-13/h1-5,7,11-12H,6,8-10H2,(H2,18,20,21)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 65.6n/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))
BDBM225898
PNG
(MAP16 | US9592235, Example 248 | US9855269, Compou...)
Show SMILES Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
Show InChI InChI=1S/C17H18N6/c18-17-16-14(20-11-21-17)4-5-15(22-16)23-8-6-12(10-23)9-13-3-1-2-7-19-13/h1-5,7,11-12H,6,8-10H2,(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65.6n/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