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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 = 'BDBM225895'   
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))
BDBM225895
PNG
(MAP14 | US9592235, Example 192 | US9855269, Compou...)
Show SMILES CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C19H20FN5O/c1-25(2)6-5-18(26)24-15-8-13(7-14(20)10-15)12-3-4-17-16(9-12)19(21)23-11-22-17/h3-4,7-11H,5-6H2,1-2H3,(H,24,26)(H2,21,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
D3R
75.5n/a 88.4n/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))
BDBM225895
PNG
(MAP14 | US9592235, Example 192 | US9855269, Compou...)
Show SMILES CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C19H20FN5O/c1-25(2)6-5-18(26)24-15-8-13(7-14(20)10-15)12-3-4-17-16(9-12)19(21)23-11-22-17/h3-4,7-11H,5-6H2,1-2H3,(H,24,26)(H2,21,22,23)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
n/an/a 88.4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research





J Med Chem 46: 3709-27 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225895
PNG
(MAP14 | US9592235, Example 192 | US9855269, Compou...)
Show SMILES CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C19H20FN5O/c1-25(2)6-5-18(26)24-15-8-13(7-14(20)10-15)12-3-4-17-16(9-12)19(21)23-11-22-17/h3-4,7-11H,5-6H2,1-2H3,(H,24,26)(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 88.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9592235 (2017)


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