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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 = 'BDBM50535493'   
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))
BDBM50535493
PNG
(CHEMBL4465524)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N(C)C)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-16(2)27-24(29)20-11-9-18(10-12-20)21-13-22(23(26-15-21)28(3)4)19-7-5-17(14-25)6-8-19/h5-13,15-16H,1-4H3,(H,27,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 6His-TEV-SHM-MAP4K4(2 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mi...


Bioorg Med Chem Lett 29: 1962-1967 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.032
BindingDB Entry DOI: 10.7270/Q2PZ5DBT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50535493
PNG
(CHEMBL4465524)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N(C)C)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-16(2)27-24(29)20-11-9-18(10-12-20)21-13-22(23(26-15-21)28(3)4)19-7-5-17(14-25)6-8-19/h5-13,15-16H,1-4H3,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human full length MAP4K4(1-1239)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubat...


Bioorg Med Chem Lett 29: 1962-1967 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.032
BindingDB Entry DOI: 10.7270/Q2PZ5DBT
More data for this
Ligand-Target Pair