new BindingDB logo
myBDB logout

BDBM50448084 CHEMBL3121324

SMILES: COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1

InChI Key: InChIKey=PUIIYUKWWSWMRY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448084   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50448084
PNG
(CHEMBL3121324)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H19F2N5O4S/c1-37-24-23(38(35,36)32-22-10-8-17(27)13-20(22)28)12-16(14-30-24)15-7-9-21-19(11-15)25(34)33(26(29)31-21)18-5-3-2-4-6-18/h2-14,32H,1H3,(H2,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (2 to 1102) (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition measured af...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448084
PNG
(CHEMBL3121324)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H19F2N5O4S/c1-37-24-23(38(35,36)32-22-10-8-17(27)13-20(22)28)12-16(14-30-24)15-7-9-21-19(11-15)25(34)33(26(29)31-21)18-5-3-2-4-6-18/h2-14,32H,1H3,(H2,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair