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BDBM299397 1-acetyl-N-[3- (4-amino- quinazolin- 6-yl)-5-fluoro- phenyl] azetidine-3- carboxamide::US9592235, Example 190::US9855269, Compound 36

SMILES: CC(=O)N1CC(C1)C(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1

InChI Key: InChIKey=VVYCZBIUAJKJMS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 299397   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM299397
PNG
(1-acetyl-N-[3- (4-amino- quinazolin- 6-yl)-5-fluor...)
Show SMILES CC(=O)N1CC(C1)C(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C20H18FN5O2/c1-11(27)26-8-14(9-26)20(28)25-16-5-13(4-15(21)7-16)12-2-3-18-17(6-12)19(22)24-10-23-18/h2-7,10,14H,8-9H2,1H3,(H,25,28)(H2,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 172n/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))
BDBM299397
PNG
(1-acetyl-N-[3- (4-amino- quinazolin- 6-yl)-5-fluor...)
Show SMILES CC(=O)N1CC(C1)C(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C20H18FN5O2/c1-11(27)26-8-14(9-26)20(28)25-16-5-13(4-15(21)7-16)12-2-3-18-17(6-12)19(22)24-10-23-18/h2-7,10,14H,8-9H2,1H3,(H,25,28)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 172n/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