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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 = 'BDBM50011559'   
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))
BDBM50011559
PNG
(CHEMBL3262578 | US9592235, Example 269 | US9855269...)
Show SMILES Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-12-3-2-9(16)6-10(12)8-1-4-13-11(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 174n/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
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011559
PNG
(CHEMBL3262578 | US9592235, Example 269 | US9855269...)
Show SMILES Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-12-3-2-9(16)6-10(12)8-1-4-13-11(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 174n/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))
BDBM50011559
PNG
(CHEMBL3262578 | US9592235, Example 269 | US9855269...)
Show SMILES Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-12-3-2-9(16)6-10(12)8-1-4-13-11(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 351n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay


J Med Chem 57: 3484-93 (2014)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair